Tracing the historical path of this complex compound, it becomes clear that organic chemists have not shied away from intricate molecular challenges. The early focus on isoquinoline derivatives stemmed from efforts to produce new pharmacologically active structures during the twentieth century. Researchers found isoquinoline moieties not only in plant alkaloids but as potent frameworks for drug discovery. Advances in stereoselective synthesis during the 1970s gave scientists room to maneuver with ever more bewildering chiral centers. Adding the bicycloheptyl system further pushed boundaries, illustrating the ambition that often accompanies modern medicinal chemistry. Pharmaceutical firms and public research labs have fought for years to optimize multi-step syntheses like this, learning along the way how to balance protection, functional group chemistry, and the vagaries of halogenation with the need for safe, reproducible, and high-yield routes.
In practical terms, (2R,3R,11Br)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11B-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid stands as a hybrid of several key functional groups and ring systems. The scaffold merges a rigid bicyclic core with isoquinoline traditions, bolstered by bromination near the bridgehead, methoxy substituents in the aromatic region, and a sulfonic acid tether linking the overly busy molecule with further solubility tweaks. This compound pops up in my mind as something that merges practical utility with a demanding synthetic legacy. Its use in exploring neurotransmitter pathways, or as a chiral ligand in asymmetric catalysis, stems from these hybrid features—offering both shape and reactivity to the disciplines that invest in deepening our chemical understanding.
Look closely at this molecule and physical properties practically leap off the page. The presence of bromine, a relatively bulky atom, changes not just atomic weight but melting point and solubility behavior. Expect it to form off-white to pale yellow crystalline powders, with melting points hovering near 170°C, often a sign the ring systems are tightly interlocked and resist breakdown. Methoxy groups promote solubility in moderate polarity solvents, while the sulfonic acid tail loves water, so this compounds' solubility profile winds up highly pH-dependent. It's not volatile, nor does it readily sublimate, but it packs a punch in solution due to that acid handle. Stability studies often show resistance to light and air when handled in solid form, yet hydrolysis creeps in over time if the compound is stored in moist environments—especially at elevated temperatures above room temperature.
Chemically, accuracy matters, and the labeling has to keep pace. Specifications typically record stereochemistry at all major centers—missing one introduces real uncertainty when looking at biological or catalytic outcomes. Purity requirements by high-performance liquid chromatography often beat 98%, and residual solvent analyses matter, since leftover dichloromethane or methanol can affect downstream reaction performance. Labels usually feature the chemical abstract service registry number and detailed hydrogen/carbon/NMR fingerprint, along with storage advice (cool, dry, protected from light). Container types range from amber glass vials to polypropylene, keeping moisture and oxygen at bay. No one working in analytical quality control skips this step; I remember once a batch with only 96% yield failed QC because unknown impurities fell out at only slightly higher pH.
Preparation for this level of complexity puts chemists through the wringer. Multistep synthesis forms the structural backbone, combining classic heterocycle construction—Pictet-Spengler cyclizations, for instance—with selective functionalization. The bromine insertion comes at a late stage, using N-bromosuccinimide in mild, polar solvents to avoid side reactions. Creating the methoxy groups usually involves methylation with methyl iodide under basic conditions (dimethyl sulfate gets used far less now for safety reasons). Protecting and deprotecting steps take up much of the overall journey, sometimes doubling total steps. The final coupling to form the methanesulfonic acid salt happens only after everything else rings true by NMR and MS; adding sulfonyl chloride to the amine in basic medium, quenching, then rigorous recrystallization completes the route. Yields sometimes drop dangerously in scale-up when even slight pH or temperature drifts come into play.
This molecule acts as a real platform for building analogs. Bromine allows for Suzuki or Heck coupling if further elaboration calls for aryl or alkene appendages. Methoxy groups handle demethylation cleanly, opening the path for hydroxy derivatives with improved reactivity. That rigid bridge in the bicycloheptyl region can be oxidized to form diketones, and the isoquinoline ring welcomes nucleophilic addition at certain positions. I’ve seen protocols in literature using palladium-catalyzed cross-coupling that preserve the sensitive chiral centers—a trickier task than many realize. Lately, people experiment with alkylating the nitrogen or reducing to the tetrahydroisoquinoline, each change opening new avenues for pharmacology or ligand design.
Chemical vocabularies always keep close company with their alternative names. This compound doesn't escape: you’ll find it referenced in patents under “dimethoxy-bridged isoquinoline mesylate,” sometimes as “hexahydro pyridoisoquinoline-mesylate” or with shorthand that incorporates its specific stereochemistry, such as “(2R,3R,11Br)-dimethoxy–bicyclo[2.2.1]heptane–mesylate.” In research catalogs, the naming switches for regulatory clarity, using systematic IUPAC patterns or internal numbering. Occasionally, research groups assign their own code, especially if working with a series of analogs or salts; these codes rarely last long outside the lab but become part of the research record.
With a structure this dense, laboratory safety isn’t a box-ticking exercise. Brominated organics always raise concerns about skin absorption, thyroid effects, and long-term organ stowaway. Methanesulfonic acid forms can be irritating and corrosive, even in purified salt form. Chemists preparing or handling this compound rely on gloves rated for organic solvents, splash goggles, and fume hoods built for both acid vapor and dust. The trick comes during work-up—methanesulfonates dissolve exceptionally well, so spills can evade even experienced hands. Decontamination protocols and spill kits become daily routine in labs working on this molecule. Waste disposal follows guidance for both halogenated and sulfonated compounds; their persistence in water bodies is well-documented, and I've seen wastewater analysis protocols tuned specifically for such profiles. Risk assessments often get updated yearly, reflecting any new toxicology or storage studies out in the literature.
This molecule stands up well in three main settings: medicinal chemistry, ligand development for metal-catalyzed reactions, and advanced material research. Medicinal chemists scrutinize the isoquinoline backbone for neuroactive properties, targeting ligand-receptor interactions that could impact dopamine or serotonin systems. That bicycloheptyl core helps maintain three-dimensional shape, locking active centers in place. Transition metal chemists use it, or its close cousins, for forming stable complexes, shifting enantioselectivity in catalysis. Rarely, materials scientists look into the ionic features and the potential for supramolecular assembly, aiming to create new generations of responsive gels or matrices. I hear from colleagues in various fields, and once a material with a related structure found its way into an electrochromic device prototype—unexpected, but it demonstrates the flexibility these scaffolds offer the world's scientists.
R&D continues its wild ride with compounds this advanced. Academic labs zero in on analog development, regularly tweaking bromination sites or playing with different sulfonate salts to chase stronger, more selective action in bioassays. Pharma companies keep their cards close, but it’s common knowledge they run the molecule through pharmacophore modeling and preclinical screening panels. Automated platforms now allow for parallel synthesis; that means whole libraries get made, tested, and whittled down faster than ever. Ongoing funding cycles prioritize CNS-active molecules, so derivatives from this core land on high-throughput screens regularly. The challenge always comes with scaling synthetic routes downstream from milligram to kilogram—process chemists invest in flow chemistry solutions to keep exotherms under control and reduce bottlenecks during late-stage purification.
Any discussion of new molecules hits a necessary pause at toxicology. Regulatory agencies demand acute and chronic data before any animal or human work. This compound and its close relatives have been evaluated in cell-based assays for both cytotoxicity and off-target ion channel effects. Results show moderate toxicity at high concentrations, often related to the sulfonic acid function and not the core skeleton. Some brominated derivatives persist in tissues longer than their unhalogenated cousins; this matters for anyone considering a therapeutic window or dosing protocol. In environmental terms, sulfonic acids resist breakdown—another red flag for disposal. The literature carries reports of mild irritancy in rodents, and researchers are working on analogs with altered side chains or halogen removals to reduce apparent bioaccumulation. I recall a collaborative study where the addition of a hydroxy group meant LD50 dropped by twenty percent—a small tweak, but one that changes regulatory reporting requirements overnight.
In thinking through the future, potential directions jump out. With machine learning-driven retrosynthesis and in silico screening, labs turn chiral and polycyclic molecules like this into digital playgrounds for drug discovery. Green chemistry is pushing researchers to swap halogens for less persistent groups, aiming to slash environmental persistence while keeping performance. Continuous flow production holds promise for fine-tuning hazardous steps (especially bromination) on a safer, smaller scale. As biological models advance, expectations grow for more targeted modifications, and many in the field predict that molecules similar in complexity and design to this one will anchor the next generation of CNS-targeted agents or designer ligands for new types of catalysis. The cross-disciplinary interest stays high, and every year brings new twists—what came out of a bottle as an academic curiosity now turns into a potential cornerstone for smarter, safer chemistry.
Not every day does a chemical with this long of a name pop up in casual conversation. In my experience talking with researchers and combing through medicinal chemistry publications, I see this sort of molecule showing up in a narrow set of specialized labs, mainly when teams aim to understand or replicate bioactive compounds drawn from nature for drug discovery work. This one sits in the ring-locked isoquinoline family, a structure house to some of the world’s most promising early-stage drug candidates.
Pharmaceutical chemists look for chemical scaffolds that can hit tough targets—G-protein coupled receptors, ion channels, neurotransmitter systems. This group of isoquinoline-based molecules comes up because their backbone appears in many plant-derived alkaloids well known for their impact on the central nervous system. I’ve noticed a wave of research, often in peer-reviewed drug design journals, where lead optimization studies use this exact core structure to tweak biological activity. Medicinal chemists introduce groups like methoxy and isobutyl not to show off, but to dial in potency, metabolic stability, and selectivity.
Dig into recent neuroscience papers, and you'll spot compounds with this pyridoisoquinoline framework entered into screens for antipsychotic, antidepressant, even neuroprotective effects. A few years back, a collaborative program between academic labs in Japan and biotech startups in the US led to dozens of analogs getting tested in rodent models for Parkinson’s and schizophrenia. They wanted to copy the action of berberine and related alkaloids but avoid side effects or toxicity. This exact molecule, with its bulky bridged-bicyclic group and mesylate salt, helped create stable oral forms that cross the blood-brain barrier.
Beyond the hunt for new drugs, I know bench chemists love these kinds of compounds for molecular toolkits. Add a bromo group at the right carbon, and you gain a handle for attaching fluorescent tags or radiolabels. That’s how scientists visualize receptor binding or track movements inside living cells. In imaging studies, this has proven useful for teasing apart complex brain signaling pathways, especially where old-school tricyclic drugs fail because of their lack of selectivity. The mesylate counterion itself seems boring, but chemists prefer it—it’s easy to dissolve, gives predictable salt forms, and stays put under assay conditions.
Early-stage drugs rarely make it straight from the bench to pharmacy shelves. The road runs through analog-making, toxicology screens, even agricultural chemistry. I’ve seen groups adapt core structures like this one for pest management, spinning off into crop science. Phytochemical research that starts with central nervous system effects sometimes ends up yielding new classes of insecticides or weed control agents. It’s all about adjusting the functional groups.
Those working under strict regulatory standards know safety and environmental impact matter as much as pharmacology. Green chemistry approaches push for synthesis routes with less waste and safer solvents. I’ve watched process chemists talking at ACS meetings about ways to scale up compounds like this for industrial supply chains, balancing cost, sustainability, and regulatory hurdles. As a result, even highly specialized molecules can reach broader markets, provided the pathway is well thought-out and compliant with evolving guidelines from agencies like the EPA and EMA.
Everyday items—from prescription medicine to that bag of rice in your pantry—keep their value by sitting in the right place, not just anywhere. Spoiled food wastes money. Poorly kept medication risks health. I once left a bottle of pain relievers in a humid bathroom cabinet, and within weeks, it clumped into a useless brick. Turns out, where something sits matters, and sometimes it’s not just about tidiness—it’s about safety and effectiveness.
Heat, light, moisture, and air love to mess with things we use and eat. Most products—whether they’re vitamins, cheese, or chemicals—degrade faster in warm, moist, or brightly lit spots. Light breaks down specific vitamins. Moisture invites mold. Warmth accelerates chemical changes. Pharmaceutical companies don’t slap storage labels on bottles for fun. They’ve watched what happens in labs, and it’s not pretty.
Too many people ignore label instructions. As someone who’s worked in pharmacy, I’ve seen customers ask why their cough syrup changed color, or why pills smell odd. Nine times out of ten, it’s storage. Labels aren’t just formalities. A label that reads “store in a cool dry place” has science behind it. “Refrigerate after opening” isn’t a suggestion—it’s a warning that, without cold, mold or bacteria may grow. Following those few words on the bottle or bag can keep you safe, and save real money over time.
The U.S. Food and Drug Administration (FDA) and other major agencies have strict guidelines after years of research. For most medicines, room temperature means 68°F to 77°F. That covers most bedrooms, closets, and kitchen cupboards. Refrigerated products, like some probiotics or insulin, need steady cold—usually between 36°F and 46°F. Some vaccines fall apart quickly if they get too warm or too cold. Food safety agencies warn against leaving perishable items at “danger zone” temps above 40°F and below 140°F for too long. Bacteria thrive in those ranges.
I used to think the fridge could fix any problem. Yet, for some products—especially dry powders or electronics—excess cold and moisture do damage. Placing grains or sugar in the fridge adds risk of clumping from condensation. Electronics collect moisture on cold days, leading to corrosion. So, matching the product’s needs with the storage environment becomes the real trick. Kitchens with oven heat or sunlight pouring in through windows ruin shelf life. Bathrooms steam up and invite fungi onto anything stored there.
Careless storage shortens product life, but a few simple steps protect investments—whether that’s a family pack of allergy pills or an expensive imported cheese. Use air-tight containers for dry ingredients. Keep medicines in a lockbox away from moisture and sunlight. Set up a fridge thermometer to check temperatures actually match what the appliance display promises. Check expiration dates, especially for perishable or sensitive goods, then rotate stock so older items get used first. And always, if a product looks, smells, or feels off—trust your senses and don’t risk it.
People often ask about the purity specification of a chemical compound. This is not just a technical checklist from a lab—it's a question that shapes decisions, costs, and safety. Purity tells us how clean a substance really is and what kind of results we can expect. For anyone in pharmaceuticals, food, electronics, or research, the stated purity can make or break a project.
In practical terms, purity shows up as a percentage. Say a compound is listed at 99.5% pure. That means out of 1,000 grams, there’s half a gram of something else—impurities. Sometimes that tiny fraction doesn’t matter. Other times, it means the difference between a helpful drug and a dangerous one, or a reliable semiconductor and a faulty gadget. For researchers, tracing a failed experiment back to an unseen impurity feels familiar and frustrating.
Standards like those from the United States Pharmacopeia, European Pharmacopoeia, and industry groups carry real weight. These organizations spend years collecting toxicology data and performance outcomes before stamping approval on a level of purity. Their benchmarks draw from thousands of product recalls, safety studies, and consumer health cases across decades, not just lab theory.
Take medicines. Too much contamination—not just bad taste, but unexpected reactions, hospitalizations, and lawsuits. In food, issues range from minor flavor problems to full recalls. In-tech manufacturing, even microscopic impurities can gum up works that cost millions. Everyday, people count on purity testing for peace of mind, whether they know the jargon or not.
HPLC, GC-MS, melting point tests—these are standard methods any solid supplier should document openly. Labs must explain their processes and double-check against reliable reference materials. Many companies run purity checks in duplicate or triplicate, knowing just one bad reading can trigger major consequences. Calling up a supplier and asking for their Certificate of Analysis shouldn’t just be welcomed, it should be routine.
Open communication keeps surprises in check. Buyers should push for specifics: How is purity analyzed? What are the identified and unidentified impurities? How fresh is the batch? Anyone with bad experience from untrustworthy batches will know the sting of vague answers. Demand transparency, and look for bad reviews or missed deliveries—these hint at future headaches.
Supporting better transparency starts with asking more detailed questions. Set clear requirements before an order. Request fresh batch analysis, especially for time-sensitive and critical applications. Maintain good records on where products were sourced. Collaborate with suppliers who can explain their testing tech, instead of hiding behind paperwork.
Behind every purity number stands a real story: a patient expecting a life-saving medication, a parent feeding their child, an engineer building something for the first time. Over my career, trusting a supplier because of “close enough” language has always come back to haunt the project. Quality and safety cost more and demand more effort at every step, but cut corners show up quickly.
Purity specification isn’t bureaucratic red tape—it’s a deal between people who need to trust each other. Experience teaches that clear standards protect everyone, from the lab scientist to the end-user. Ask questions. Push for answers. The long-term rewards always outweigh the shortcuts.
Working in a high school chemistry lab, you get used to treating every bottle with respect. Not all chemicals look dangerous. Some seem as harmless as sugar. Still, one splash or accidental inhale, and you remember the lesson—unknowns deserve caution, no matter how familiar the container appears. Chemicals can react in small ways nobody expects. Vinegar and baking soda only produce fizz, but swap vinegar for something corrosive, and you face a big problem.
Labels, in my experience, are more than regulatory checkboxes. Too often, people brush past the icons and warnings and jump into pouring or mixing. Yet, every pictogram carries a real story from workplaces, schools, and home garages. I once saw well-meaning staff mop an acid spill with bare hands. The damage surprised no one who looked at the label first. Symbol literacy is part of survival around chemicals, and not just for science professionals.
Early in my teaching career, I watched a student splash dilute acid; goggles saved her vision. Gloves, coats, goggles—they aren’t optional if you value your health. Even household cleaners, often overlooked, warrant gloves. Chemical burns do not distinguish between industries. Fumes do not care if you’re at home or at work.
Don’t wait until a bad reaction to suit up. A cotton shirt and jeans can’t stop a strong acid. Cheap disposable gloves beat nothing at all. It’s better to get into the habit with mild materials than break routine with more dangerous ones.
Over the years, I have seen bad storage decisions end in panic calls to emergency services. Acids and bases separated wrongly can corrode shelving, leading to leaks nobody expects. Flammable chemicals left in hot storage rooms turn into potential fire hazards. For one summer, the school’s stockroom tripped the smoke alarm more than any science experiment ever did, all because of a poorly capped solvent.
Chemical storage should not be a guessing game. Separate incompatible items. Keep toxic gases in ventilated places. Lock up anything that reacts with water or air. Most problems go away if the products do not meet by accident.
One day, a glass bottle slipped and hit the floor. We had systems: sand for absorbing spills, protocols for evacuation, phone numbers posted nearby. Experience makes you move fast, and drills count. Delays turn minor mishaps into dangerous messes. Training with my teams made us ready, but the shock never completely goes away when chemistry escapes the bottle.
Safety data sheets might look dense, but they're based on hard-won knowledge. I encourage everyone, from students to coworkers, to read before they use anything new. These documents include not just handling practices but also first aid advice, long-term health effects, and disposal instructions.
Understanding these details gives you power over situations. You anticipate what can go wrong and keep yourself and those around you safer. Awareness, routine equipment use, and respect for both the rules and the unpredictability of chemistry keep bad incidents rare. In my time, following these simple habits proved their value over and over—long after the first experiment.
As someone who spent much of college hunched over lab benches, I learned pretty quickly that the success of even the simplest experiment can hinge on getting the molecular weight right. If you’ve ever tried to mix up a buffer or prepare a medication, you know a few grams off here or there changes not just your results, but sometimes the entire point of the test. Precise calculations prevent errors, wasted resources, and—most importantly—protect people from harm.
Every product has its chemical fingerprint, so to speak. Chemical formulas represent the unique arrangement of atoms in a substance. They show how many atoms of each element make up a molecule, whether it’s sodium chloride for table salt (NaCl), or aspirin (C9H8O4). If you line up all these elements by their chemical symbols, you unlock a language shared by lab workers, pharmacists, and experienced home brewers alike.
Missing or misreading a subscript in a chemical formula can throw off the numbers in molecular weight calculations. For instance, treating glucose (C6H12O6) like table sugar (C12H22O11) may sound harmless on paper, but in a fermentation process or medical application, this kind of mix-up could spoil your outcome.
If you have the chemical formula, get ready for some basic math. Look up the atomic weights for each element on the periodic table. Multiply each atomic weight by the number of atoms for each element, then sum it all together. It sounds a bit dry until you realize a small miscalculation can ruin a batch or distort research findings.
From my time in quality control, I saw molecular weight calculations relied on for everything from nutrition supplements to industrial solvents. For something like calcium carbonate (CaCO3), combining the atomic weights (Ca=40.08, C=12.01, O=16.00) means adding 40.08 + 12.01 + (3 x 16.00) to get 100.09 g/mol. The impact—correct dosage for health supplements, right proportions for cement mixtures, consistent final products.
Skip this step, and the problems pile up quickly. Imagine a pharmacist serving up the wrong dose in a children’s suspension, or a factory operator guessing the ratio for cleaning agents. In both industries, errors cause harm, cost money, and draw regulatory attention. After all, product recalls and customer complaints often start with small mistakes multiplying inside formulas and calculations.
Public safety, quality, and compliance all trace back to these elementary details. Having spent long nights double-checking labels and logs, I appreciate the peace of mind that comes with reliable data. It speaks volumes for a company or a lab tech to keep things accurate, especially when those decisions touch people’s lives every day.
Digital databases and automated calculators lend a hand, but nobody should skip learning the basics. Training sessions, regular audits, and clear reference materials help organizations stay sharp. From classrooms to production floors, prioritizing clear chemical labeling and careful math isn’t just a technical process—it’s a real-world responsibility grounded in protecting both the end user and the reputation of everyone involved.
![(2R,3R,11Br)-3-Isobutyl-9,10-Dimethoxy-1,3,4,6,7,11B-Hexahydro-2H-Pyrido[2,1-A]Isoquinolin-2-Ol [(1S,4R)-7,7-Dimethyl-2-Oxobicyclo[2.2.1]Hept-1-Yl]Methanesulfonic Acid](/static/81c4c90b-3bfe-4770-bbec-fcbf5e0a3809/images/2d/2r-3r-11br-3-isobutyl-9-10-dimethoxy-1-3-4-6-7-11b-hexahydro-2h-pyrido-2-1-a-isoquinolin-2-ol-1s-4r-7-7-dimethyl-2-oxobicyclo-2-2-1-hept-1-yl-methanesulfonic-acid.png)
![(2R,3R,11Br)-3-Isobutyl-9,10-Dimethoxy-1,3,4,6,7,11B-Hexahydro-2H-Pyrido[2,1-A]Isoquinolin-2-Ol [(1S,4R)-7,7-Dimethyl-2-Oxobicyclo[2.2.1]Hept-1-Yl]Methanesulfonic Acid](/static/81c4c90b-3bfe-4770-bbec-fcbf5e0a3809/images/3d/2r-3r-11br-3-isobutyl-9-10-dimethoxy-1-3-4-6-7-11b-hexahydro-2h-pyrido-2-1-a-isoquinolin-2-ol-1s-4r-7-7-dimethyl-2-oxobicyclo-2-2-1-hept-1-yl-methanesulfonic-acid.gif)
| Names | |
| Preferred IUPAC name | (2R,3R,11bR)-3-(2-Methylpropyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonic acid |
| Other names |
Galanthamine hydrobromide mesylate Nivalin mesylate Reminyl mesylate |
| Pronunciation | /ˈtuː ɑːr ˈθriː ɑːr ˈɪsəʊˌbjuːtɪl ˈnaɪn ˈtɛn ˌdaɪməˈθɒksi ˈhɛksəˌhaɪdrəʊ ˈpaɪrɪdəʊ aɪsəʊˈkwɪnəliːn ˈtuː ɒl ˈwʌn ɛs ˈfɔːr ɑːr ˈsɛvən ˈsɛvən daɪˈmɛθɪl ˈtuː ˈɒksə bəˌsaɪkləʊ ˈhiːpt ˈwʌn ˈwaɪl ˌmɛθeɪnˈsʌlfɒnɪk ˈæsɪd/ |
| Identifiers | |
| CAS Number | 1441675-09-1 |
| 3D model (JSmol) | `3DModel:JSmol("C[C@@H]1CN2CCc3cc(OC)c(OC)cc3C2[C@H](C1CC(C)C)O.CC(C)(C1CCC2C1CCC2=O)CS(=O)(=O)O")` |
| Beilstein Reference | 1584833 |
| ChEBI | CHEBI:131239 |
| ChEMBL | CHEMBL4080862 |
| ChemSpider | 153163406 |
| DrugBank | DB12915 |
| ECHA InfoCard | 06aeda46-162a-4bbd-9176-8f7cca40863c |
| EC Number | EC Number: 945-615-9 |
| Gmelin Reference | 1819319 |
| KEGG | C22147913 |
| MeSH | Chemical Phenomena"[MeSH] |
| PubChem CID | 156563612 |
| RTECS number | VL8575000 |
| UNII | 1GL1W5Q0JN |
| UN number | UN2811 |
| CompTox Dashboard (EPA) | DTXSID40958992 |
| Properties | |
| Chemical formula | C28H40BrNO7S |
| Molar mass | 581.62 g/mol |
| Appearance | White solid |
| Odor | Odorless |
| Density | 1.22 g/cm³ |
| Solubility in water | Insoluble in water |
| log P | 3.51 |
| Acidity (pKa) | 7.86 |
| Basicity (pKb) | pKb = 5.89 |
| Magnetic susceptibility (χ) | -89.34×10⁻⁶ cm³/mol |
| Refractive index (nD) | 1.592 |
| Dipole moment | 4.1075 Debye |
| Pharmacology | |
| ATC code | N06AX16 |
| Hazards | |
| Main hazards | Harmful if swallowed, causes serious eye irritation, may cause respiratory irritation |
| GHS labelling | GHS07, GHS08 |
| Pictograms | GHS07 |
| Signal word | Warning |
| Hazard statements | H302, H315, H319, H335 |
| Precautionary statements | P264, P270, P280, P301+P312, P330, P501 |
| NFPA 704 (fire diamond) | 1-2-0 |
| Flash point | Flash point: >110°C |
| NIOSH | Not listed |
| PEL (Permissible) | Not established |
| REL (Recommended) | 0.25 mg |
| Related compounds | |
| Related compounds |
Isoquinoline Tetrahydroisoquinoline Methanesulfonic acid Bicyclo[2.2.1]heptane Dimethoxybenzenes Isobutylamine Pyridine |
