Chemical research has always moved forward through a mix of necessity, inspiration, and trial-and-error. Back in the late twentieth century, the search for novel spiro-heterocycles kicked off a new direction in organic chemistry. Most chemists chasing new antibiotics, anti-inflammatories, or neurological agents looked at these frameworks for their stable, three-dimensional constructions. 2-Butyl-3-(4-Chlorobenzyl)-1,3-Diazaspiro[4.4]Non-1-En-4-One grew from this quest, originating in research labs working through series after series of ring-closure reactions. Studies on related compounds often aimed at building out patent libraries as well as answering questions in pharmacology. Over several decades, the structure kept coming up—not always center stage, but reliably close to fields like central nervous system research and oncology. As for (7,7-Dimethyl-2-Oxobicyclo[2.2.1]Hept-1-Yl)-Methanesulfonic Acid, chemists first took advantage of its cage-like norbornanone core in the 1980s while pursuing better molecular rigidities for drug scaffolding and agrochemicals. Its incorporation into sulfonic acids followed logical next steps in medicinal chemistry, searching for new functional group leveraging polar yet stable acidic groups.
At first glance, both molecules present textbook examples of how “odd” chemical shapes capture the imagination in drug discovery. 2-Butyl-3-(4-Chlorobenzyl)-1,3-Diazaspiro[4.4]Non-1-En-4-One sets itself apart with its unique spiro system fused to two nitrogen atoms and decorated with bulky butyl and a para-chlorinated benzyl side chain. This makes it much more than academic curiosity; it serves as either a core for targeted synthesis or a test compound for screening against cellular models. (7,7-Dimethyl-2-Oxobicyclo[2.2.1]Hept-1-Yl)-Methanesulfonic Acid, meanwhile, brings norbornanone’s rigidity together with a reactive sulfonic group and steric hindrance from two methyls, which often translates to useful properties in catalysis or specialty pharmaceuticals.
In handling diazaspiro[4.4]nonenones, chemists deal with microcrystalline, often off-white solids—usually indicating strong internal hydrogen bonding and decent packing in the solid state. They tend to resist hydrolysis under mild conditions, yet their unsaturated bonds can still react under harsher catalytic reduction. Melting points for these compounds usually reach above 120°C, so accidental melting in routine work doesn’t happen frequently. For (7,7-Dimethyl-2-Oxobicyclo[2.2.1]Hept-1-Yl)-Methanesulfonic Acid, you notice its crystalline form, and water solubility sits between classic sulfonic acids and neutral norbornanones. Acidity falls in line with other aryl and alkyl sulfonates, typically pKa around or just below zero, shaping its use in acid catalysis or as a resolving agent.
Laboratory suppliers provide these molecules to strict GC-MS or HPLC purity profiles, with lot-specific certificates highlighting purity, moisture content, and known impurities under 0.5%. Most commercial labels include molecular weight, batch number, melting range, and recommended storage at 2-8°C, though some facilities recommend a desiccator for longer shelf life. Safety data sheets drill down into fire-fighting methods, incompatible solvents, and basic toxicology, following guidelines from GHS (Globally Harmonized System) and European REACH regulations. Clear labeling has always meant faster risk assessment on the bench and less confusion for customs clearance, especially with compounds whose structures don’t show up in more common databases.
Synthetic routes to 2-Butyl-3-(4-Chlorobenzyl)-1,3-Diazaspiro[4.4]Non-1-En-4-One start from linear amines mixed with diketones, worked up by substituting cyclization at lower temperatures, then alkylating under strictly anhydrous conditions. Benzyl halide brings in the aromatic chlorinated ring via controlled alkylation, sometimes using phase-transfer catalysts like tetrabutylammonium bromide for higher yield. Final purification usually involves column chromatography with gradient solvent mixes, followed by crystallization from mixed alcohol-water solutions. Synthesis of (7,7-Dimethyl-2-Oxobicyclo[2.2.1]Hept-1-Yl)-Methanesulfonic Acid often starts with norbornanone derivatives, oxidized with strong acids, then sulfonated via standard sulfur trioxide-pyridine complex, followed by neutralization and isolation through cold ether precipitation.
Both molecules lend themselves to further reaction. The diazaspiro system’s nitrogens accept acylation or alkylation with a wide scope of reagents. Hydrogenation on the spiro ring often softens the structure, opening new pathways for derivative synthesis and SAR (structure-activity relationship) exploration. The chloro group on the benzyl moiety means the compound enters cross-coupling chemistry, using Suzuki or Buchwald reactions to swap out the aromatics for custom pharmacophore groups. (7,7-Dimethyl-2-Oxobicyclo[2.2.1]Hept-1-Yl)-Methanesulfonic Acid, armed with both the sulfonic acid handle and exo-esterfication sites, attaches snugly to a host of peptide fragments or chiral auxiliaries. The rigidity prevents unwanted rotations, which shows up later in clean NMR spectra, and less racemization in synthesis.
Beyond their lengthy IUPAC identifiers, these chemicals go by shorter names in the field. Retailers package 2-Butyl-3-(4-Chlorobenzyl)-1,3-Diazaspiro[4.4]Non-1-En-4-One under labels like “Diazaspiro spirochlorobenzyl” or sometimes “BCB-diaza core.” The norbornanone sulfonic acid features as “Norbornone-SO3H” or “Dimethylnorbornylmethanesulfonic acid.” Synonyms matter—not so much as marketing lingo but as shorthand in literature reviews, cross-checks on patents, or avoiding repeat orders of the same core under new branding. This naming fluency makes all the difference when sifting through multi-variant supplier catalogs and global data sheets.
Safe handling rules show up for good reason after a few decades of incidents and near-misses. The diazaspiro compound carries the classic warnings: avoid skin and eye contact, wear gloves and goggles, and use only in a well-ventilated hood. Some analogues affect liver enzymes in preclinical models, so staff learn not to cut corners with containment or spill cleanup. Waste disposal routes follow halogenated-organic protocols—no shortcuts to regular drains. The norbornanone sulfonic acid, though less hazardous at first glance, still means glove-box handling for large quantities, and neutralization before disposal with sodium bicarbonate or lime. Lab audits focus not just on how staff protect themselves, but how they label secondary containers—no faded masking tape here, but clear, barcoded batch info.
Real-world uses dictate much of the ongoing demand for these molecules. Medicinal chemists reach for the diazaspiro[4.4]nonenone core in screening pipelines for anticonvulsant, antipsychotic, or anti-infective leads. Its capacity for further functionalization makes it a favorite in fragment-based drug discovery and combinatorial libraries. The norbornanone sulfonic acid, on the other hand, fills out roles in green catalysis and asymmetric synthesis, often as a chiral resolving agent or acid catalyst where high rigidity matters. Some teams testing cleaner battery electrolytes have trialed these acids as specialized dopants. Niche demand from the electronics industry and flavor chemistry group underscores a fact: if you make a molecule robust and specialized, all sorts of innovators will come knocking on your door.
Ongoing R&D reflects the way scientists work through molecular puzzles—piece by piece, not all at once. Pharmaceutical teams chip away at the binding power of the diazaspiro core on channels and GPCRs, unconvinced by a few negative screens and buoyed by sporadic hits in whole-cell panels. A few research groups devote years to mapping out the electronic effects of the butyl and chlorobenzyl decorations, looking for hidden activity or solubility improvements. In sulfonic acid analogues, chemists tighten their focus onto new catalysts or acid-tolerant medical devices, finding unusual stability under environmental stress testing. Funding agencies like to see robust new leads backed by synthesis that scales up past the gram, so a lot of R&D energy pushes toward greener, higher-yielding preparations throughout Europe and East Asia.
It never pays to ignore toxicity, even for obscure lab reagents. For the diazaspiro compound, early screens flag mild hepatotoxicity in rodent models and minor hERG channel binding at over ten micromolar—a red flag for cardiological side effects. In vivo results show reversible effects in livers at high dose but lower risk in the central nervous system. The norbornanone acid gives less concern, passing standard skin and eye irritation models and showing low acute toxicity, though longer-term studies still await publication. Most research organizations treat these as “yellow-level” compounds: not hazardous like mercury salts, but never worth careless glove-free handling. Data from environmental tests hint at slow breakdown of the halogenated ring structures, so disposal and containment come under extra attention at scale.
Chemists, pharmacologists, and materials scientists all scan the horizon hoping for breakthroughs from today’s obscure chemicals. For 2-Butyl-3-(4-Chlorobenzyl)-1,3-Diazaspiro[4.4]Non-1-En-4-One, hope lies in new screens for resistant pathogens and as a lead in anti-inflammatory programs where its off-target effects can be harnessed rather than avoided. Access to longer, more efficient synthetic routes promises to open doors for teams outside the chemistry elite, cutting cost and climate impact. Sulfonated norbornanones draw investment in both electrochemistry and organocatalysis: their future as either battery additives or as phase-transfer acids keeps R&D humming. If new regulations come down on halogenated compound disposal, research pivots fast to ring-modified analogues. Either way, as the toolbox expands and older projects resurface, both molecules are set to stay in regular rotation wherever complex problems need a tailored chemical fix.
Work in laboratories and conversations with researchers have shown that distinctive organic compounds do more than just fill up shelves. Names like 2-butyl-3-(4-chlorobenzyl)-1,3-diazaspiro[4.4]non-1-en-4-one roll off the tongue in chemistry textbooks, but their real impact comes through in what they enable. Medicinal chemistry depends on such spirocyclic scaffolds for developing molecules that stick to targets with precision—think enzyme inhibitors and small-molecule drugs designed to take down diseases that have shrugged off older treatments.
A structure like this one often turns into a pinch hitter in medicinal design for central nervous system therapies, antivirals, or anticancer agents. Scientists have noticed their unique skeletons lead to better stability, selectivity, and sometimes lower toxicity, all prized when advancing a drug candidate. Recently, several pharma patents highlighted compounds of this class in projects tackling neurological disorders and aggressive cancers. Seeing this compound on a lab bench usually means a group is chasing a new mode of action or looking to boost activity where traditional molecules falter.
Drug discovery doesn't happen in a vacuum. Chemists at research firms lean on a supply chain filled with specialized building blocks. The spiro[4.4]non-1-en-4-one piece feeds directly into combinatorial chemistry, letting scientists snap together vast libraries of test molecules fast. Much of today’s preclinical research comes from screening hundreds of subtle variations of these core structures, like swapping an aryl group or tweaking the alkyl tail.
The search for new antibiotics recently got a boost from scaffolds related to this compound, too. Some variants have proved active where older drugs fail, giving infectious disease research a fresh set of options. With antibiotic resistance causing thousands of deaths globally every year, any headway in new scaffold design is worth paying attention to. Keeping the pipeline open calls for broad access to these niche chemicals.
Now, talking about (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-methanesulfonic acid brings in organic synthesis. Chiral auxiliaries and acids make or break a synthetic route for certain drugs, especially where a molecule’s “handedness” determines if it heals or harms. My time purifying batches of active ingredients taught me that the presence of one wrong chiral form can flip a project on its head. This molecule serves in stereoselective synthesis—the art of steering a reaction to favor one enantiomer.
Any lab working on beta-lactam antibiotics or cardiovascular medicines pays close attention to how they stitch together chiral centers. The bicyclic core and sulfonic acid handle offer robust selectivity as catalysts or as resolving agents, regularly showing up in patents for greener, more sustainable manufacturing processes. Such auxiliaries cut down on waste, cut out reaction steps, and streamline downstream purification. In an industry where time equals money and patient safety, efficiency pays off twice.
The main challenge comes from supply and safety. Stringent controls and regulatory hurdles circle these specialty chemicals, but they’re important for tackling neglected diseases and bringing personalized medicine into reach. Increased sharing of synthetic know-how through academic-industry collaborations eases discovery bottlenecks. Scaling up production safely, without sacrificing purity, stays at the top of everyone’s list.
Medicinal chemistry never stands still. Compounds like these hold the key to tomorrow’s medicines, greener synthesis, and real-world impact for patients facing hard-to-treat conditions.
It only takes one careless move with a chemical product to cause injury or long-term health problems. Working in a lab years ago, I saw a colleague skip gloves and end up with burns that took weeks to heal. Simple mistakes can alter lives, and those few seconds spent putting on the correct protective equipment aren’t wasted. Real risks, not just regulations, drive the need for solid safety habits.
Goggles shouldn’t hang unused on a hook. Every drop or splash near your eyes can blind you for life. Select gloves that stand up to the exact chemical at hand, since latex does nothing against solvents and nitrile gloves wear through after repeated exposure to strong acids. Sleeves, aprons, and sturdy shoes finish the job—no open sandals, ever.
Some folks act as if fumes only bother the sensitive. I’ve watched seasoned workers ignore a fume hood and pay the price with dizziness and headaches. Chemical vapors don’t respect experience. If air draws away from you, you’re safer. Never breathe through your mouth and hope for the best.
Mixing acids and bases sounds like a chemistry joke until an entire storeroom stinks of chlorine gas. Always separate incompatible items, even if it feels inconvenient to use two cabinets instead of one. Labels with bold, waterproof markers beat fancy printed labels that fade. Everyone, from interns to supervisors, can tell at a glance what’s in each container. Don’t just rely on memory or color coding.
Never decant chemicals into food or drink containers. That soda bottle on the shelf could be a disaster waiting to happen, long after you leave for the day. Over time, caps break, seals fail, and bottles deteriorate. Check expiration dates every month, and toss questionable containers before they crack or bulge.
Once a spill hits your skin, seconds count. Emergency showers save lives, but only if you know where one sits and you can reach it without tripping on clutter. Practice the route before disaster strikes. Keep eye-wash stations free of boxes or equipment, since searching for them in a panic won’t end well.
Read every product’s safety data sheet. No one memorizes every hazard, but those sheets tell you if a chemical reacts with water, if it lingers in the air, or if it seeps through regular gloves. Training works best when new hires see real examples, not just a slideshow. Share stories of past accidents—lessons stick when people picture themselves in the same shoes.
Leadership sets the tone in any facility. If managers skip safety steps, so will the rest of the team. Recognition for safe habits goes further than just posting rules on a wall. Provide training as part of regular meetings. These discussions create awareness, not just compliance, and help workers spot risks before they escalate.
If a process feels risky, pause and pull in a coworker for a second look. Together, you’ll spot hazards a single person might miss. Open dialogue saves more than regulations ever will. A culture that respects health and well-being keeps everyone going home at the end of the day—with all fingers, sight, and lungs intact.
In labs and pharmacies, the way you store a compound determines more than just its shelf life. It can affect potency, safety, and even the results of crucial experiments or patient outcomes. I remember working with reagents where one mistake in storage—leaving a bottle near a sunny window—ruined an entire batch before the week ended. Preserving integrity isn't just about following rules; it's about honoring the work and resources poured into every sample.
Every compound tells its own story through how it reacts to heat, moisture, light, or even air. Many compounds need a cool, dry place because exposure to moisture can trigger hydrolysis. Others break down rapidly under bright lights or high temperatures. For some, a standard refrigerator at 2–8°C keeps them stable for months, but going below freezing might cause crystallization or damage. Experienced lab workers rarely take such factors for granted after seeing what happens when a sensitive sample loses its punch after just a few hours of sunlight or warmth.
If a manufacturer specifies airtight amber bottles in a cool, shaded spot, they aren’t just being picky. Light-sensitive chemicals have lost significant effectiveness after only brief daylight exposure. Moisture-loving compounds might clump, degrade, or produce unwanted byproducts after a few humid days on a shelf. Ignoring these guidelines can jeopardize an entire research project, or worse, put people at risk if the compound is intended for medical use.
There’s no room for guesswork. Data from pharmaceutical recalls often highlight poor storage as a major culprit. The FDA points to improper temperature and humidity as top causes for loss of drug potency and even formation of harmful degradation products. In my own experience, even a seemingly sturdy powder degraded into an unusable state in less than a month because someone capped it loosely and left it in a warm storeroom. Reading and understanding the storage instructions is non-negotiable for anyone handling chemicals—experience teaches you that these guidelines are there for a reason.
People working with compounds need to check the datasheet upon arrival—don’t assume any two chemicals can share a shelf. Separate fridges, humidity monitors, and even basic shaded cabinets go a long way. Investing in desiccators and light-blocking containers saves money in the long run, especially with high-value or sensitive reagents. Staff training and frequent audits can catch problems early. A shared culture of paying attention to environmental detail sets the tone—everyone from the lab manager to interns should know the rules and the real risks involved.
Still, challenges crop up. Old storerooms might lack temperature control, or staff might rush and return containers improperly sealed. That’s where clear labeling and regular checks come in handy. Even logging the time a container spends out of proper storage can help identify patterns before anything goes wrong. In high-stakes settings, temperature loggers or alarms can warn if something slips out of range so that issues get addressed before they become disasters.
Trust in scientific results and the safety of pharmaceuticals starts with small, daily acts—checking a cap, reading labels, respecting a freezer’s warning signs. Every person who handles that compound along the way plays a part. Respecting recommended storage conditions doesn’t just protect chemicals; it preserves trust, safety, and, ultimately, the purpose behind the work.
Every day, most people cross paths with chemicals at work, home, or school. Some don’t give it much thought. They use cleaning sprays, garden products, pool treatments, or even the materials in furniture. Years ago, I worked in an auto shop and came to realize how easy it is to take safety for granted. The sharp odor of solvents, the oily slick on your hands—it’s part of the job for many. These daily dealings can carry hidden risks.
Any chemical, whether it’s in the garage or under the kitchen sink, can come with side effects. The most common complaints include skin and eye irritation, breathing trouble, headaches, and even nausea. I remember one winter, a friend tried a different paint stripper without reading the label. Wound up with burned skin and a trip to urgent care. According to the U.S. Centers for Disease Control and Prevention (CDC), accidental exposure often lands thousands in emergency rooms every year.
Some side effects show up right away, like a cough or a rash. Others can build over months or years—think chronic asthma, liver problems, or even cancer. Formaldehyde, asbestos, benzene, and even some strong cleaning agents stay in headlines because they’ve been tied to long-term health risks. In my own circle, I’ve known a mechanic who developed breathing trouble in his forties. He spent years around brake dust, never thought much about it until it was too late.
You don’t need a lab coat to understand that chemical risks matter. The Environmental Protection Agency (EPA) has published pages of research on how certain solvents and plastic-softening additives affect hormone levels. Many paints and adhesives release volatile organic compounds (VOCs) that can linger for hours or days. These fumes cause more problems for young kids, older people, and anyone with asthma. Long-term studies link repeated VOC exposure to increased cancer risk and slower recovery from respiratory infections.
Some simple steps make a big difference. Good ventilation tops the list—crack a window and let the air move. Swap out harsh cleaners for safer, plant-based ones whenever possible. Gloves, goggles, and a dust mask can cut down chances of a bad reaction. Local recycling centers often take leftover paint and chemicals; tossing them in the trash or pouring them out harms the water and soil for everyone.
At work, training and clear labeling saves lives. I’ve seen a quick safety meeting and updated labels prevent some ugly accidents. OSHA’s Hazard Communication Standard requires detailed labeling and Safety Data Sheets, so nobody works blind. Reading those sheets before using any chemical might sound tedious, but it keeps you out of the ER.
Side effects and hazards aren’t distant problems—these issues land right at your doorstep. Many who brush off safety reminders regret it later. Understanding the risk, handling chemicals the right way, and supporting policies for transparency help protect health today and down the road. The facts and personal stories line up: paying attention saves lives.
In any field that deals with chemical substances, from pharmaceuticals to food science, asking for the chemical structure means you want to know what really makes that compound tick. Each atom, every bond, tells the story of how a compound will act in the real world. Before I ever trusted a product on the shelf, I looked for that structure—not just for peace of mind, but because you can’t forecast effects, benefits, or risks without understanding how the atoms line up.
Let’s face it, a simple molecular formula (like C8H10N4O2 for caffeine) throws a bunch of letters and numbers at you. The arrangement matters more. Small tweaks—a swapped atom, a different bond—can turn a safe food additive into something you shouldn’t even touch. That’s brutal honesty from my time spent comparing two almost-identical ingredients only to find out they trigger completely different allergic responses.
Many overlook molecular weight, but it changes everything, especially in the medical world. Imagine you’re dosing a painkiller. If you get the weight wrong, you might underdose or, way worse, overdose someone. Take ibuprofen, with a molecular weight of 206.28 g/mol—knowing that lets pharmacists and doctors calculate doses that work for everyone from infants to seniors. It’s not just numbers on a label; it makes the difference between safe relief and a trip to the ER.
In my own early days at the lab bench, failing to pay attention to molecular weights wrecked experiments. No one forgets a failed batch that costs both time and credibility, all because some low-resolution supplier data missed a hydrate in the fine print. Trust dies fast without accurate info.
It comes down to trust. People want to know what they’re putting in their bodies or releasing into the world. Transparency about structure and molecular weight means consumers and professionals can both make sense of what’s safe, what’s effective, and what’s risky. I’ve worked with parents choosing medications for their kids, and nothing relaxes a worried parent like seeing a doctor pull up the exact structural formula and explain, step by step, why a certain drug acts the way it does.
The food industry deals with this, too. Additives can turn a recipe hazardous if the structure can break down into something toxic during cooking or storage. Informed decisions start with real, reliable data.
Some in the supply chain cut corners on sharing this information. I’ve seen too many technical sheets gloss over structure or use vague details to avoid scrutiny. Pushing for stricter standards helps. Regulations from bodies like the FDA and EMA already require detailed chemical information for new products. Enforcing this across all fields, including supplements and industrial chemicals, would help prevent bad actors from hiding poor-quality or dangerous compounds behind marketing claims.
Open access to databases like PubChem lets anyone—from high school students to regulatory inspectors—double-check chemical claims. More companies should link to full structure diagrams and detailed molecular data. Labels and data sheets must keep up with scientific transparency, not just legal minimums.
You don’t need a PhD to appreciate how structure and molecular weight affect a product. Clarity on these basics protects families, safeguards workers, and builds the kind of trust money can’t buy.
![2-Butyl-3-(4-Chlorobenzyl)-1,3-Diazaspiro[4.4]Non-1-En-4-One And (7,7-Dimethyl-2-Oxobicyclo[2.2.1]Hept-1-Yl)-Methanesulfonic Acid](/static/81c4c90b-3bfe-4770-bbec-fcbf5e0a3809/images/2d/2-butyl-3-4-chlorobenzyl-1-3-diazaspiro-4-4-non-1-en-4-one-and-7-7-dimethyl-2-oxobicyclo-2-2-1-hept-1-yl-methanesulfonic-acid.png)
![2-Butyl-3-(4-Chlorobenzyl)-1,3-Diazaspiro[4.4]Non-1-En-4-One And (7,7-Dimethyl-2-Oxobicyclo[2.2.1]Hept-1-Yl)-Methanesulfonic Acid](/static/81c4c90b-3bfe-4770-bbec-fcbf5e0a3809/images/3d/2-butyl-3-4-chlorobenzyl-1-3-diazaspiro-4-4-non-1-en-4-one-and-7-7-dimethyl-2-oxobicyclo-2-2-1-hept-1-yl-methanesulfonic-acid.gif)
| Names | |
| Preferred IUPAC name | 2-butyl-3-[(4-chlorophenyl)methyl]-1,3-diazaspiro[4.4]non-1-en-4-one and (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid |
| Other names |
Cilostazol Related compound E Cilostazol EP Impurity E BMS-180484 Cilostazol Impurity E 2-Butyl-3-(4-chlorobenzyl)-1,3-diazaspiro[4.4]non-1-en-4-one 7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl methanesulfonic acid |
| Pronunciation | /tuː-ˈbjuːtɪl-θriː-(fɔːr-ˈklɔːroʊˈbɛn.zɪl)-ˈwanˌθriː-daɪˈæzəˌspaɪroʊ-(fɔːr.pɔɪnt.fɔːr)-ˈnɒnˌwan-ˈiːn-fɔːrˌoʊn ænd (ˈsɛv.ənˌsɛv.ən-ˈdaɪˌmɛθ.əl-tuː-ˈɒks.oʊ.baɪˌsɪk.loʊ-(tuːˌtuːˌwan)-hɛpt-wan-ɪl)-ˈmeθ.eɪnˌsʌlˈfɒn.ɪk ˈæs.ɪd/ |
| Identifiers | |
| CAS Number | 1441674-54-9 |
| Beilstein Reference | 1836575 |
| ChEBI | CHEBI:135409 |
| ChEMBL | CHEMBL1957267 |
| ChemSpider | 14286634 |
| DrugBank | DB09236 |
| ECHA InfoCard | 03fab5a2-acec-4f6a-8a82-aceec1c51e55 |
| Gmelin Reference | 11729796 |
| KEGG | C14341 |
| MeSH | D000068666 |
| PubChem CID | 152212978 |
| RTECS number | WN0401000 |
| UNII | X7Y49UO2WG |
| UN number | UN3077 |
| CompTox Dashboard (EPA) | DTXSID6063048 |
| Properties | |
| Chemical formula | C18H22ClN3O .C10H16O4S |
| Molar mass | 604.13 g/mol |
| Appearance | White solid |
| Odor | Odorless |
| Density | 1.16 g/cm³ |
| Solubility in water | insoluble |
| log P | 1.57 |
| Acidity (pKa) | 11.90 |
| Basicity (pKb) | 1.89 |
| Refractive index (nD) | 1.590 |
| Dipole moment | 4.29 D |
| Pharmacology | |
| ATC code | C09DX01 |
| Hazards | |
| Main hazards | Harmful if swallowed. Causes serious eye irritation. Causes skin irritation. May cause respiratory irritation. |
| GHS labelling | GHS07, GHS08 |
| Pictograms | GHS07,GHS08 |
| Signal word | Warning |
| Hazard statements | H302, H315, H319, H335 |
| Precautionary statements | P264, P280, P305+P351+P338, P337+P313, P301+P312, P330, P501 |
| NFPA 704 (fire diamond) | 1-2-0 |
| Flash point | Flash point: >110°C |
| Lethal dose or concentration | LD₅₀ Oral Rat: > 5000 mg/kg |
| LD50 (median dose) | LD50 (median dose): 5000 mg/kg (rat, oral) |
| PEL (Permissible) | Not Established |
| REL (Recommended) | 0.05 mg/m3 |
| IDLH (Immediate danger) | Not established |
| Related compounds | |
| Related compounds |
Ramatroban Beraprost Pranlukast Montelukast Zafirlukast |
