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· · COA & SDS available for every product · Same-day shipping on in-stock items Tonabersat - ≥99% , CAS No.175013-84-0
Synonyms
Benzamide, N-[(3S,4S)-6-acetyl-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-3-chloro-4-fluoro- | USL-260 | (3S,4S)-6-Acetyl-4-(3-chloro-4-fluorobenzamido)-3,4-dihydro-2,2-dimethyl-3-hydroxy-2H-1-benzopyran | Q27255763 | 2H-Benzo(b)pyran-3-ol,
Shipped In
Ice chest + Ice pads
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Why this grade ≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Benzamide, N-[(3S, 4S)-6-acetyl-3, 4-dihydro-3-hydroxy-2, 2-dimethyl-2H-1-benzopyran-4-yl]-3-chloro-4-fluoro- | USL-260 | (3S, 4S)-6-Acetyl-4-(3-chloro-4-fluorobenzamido)-3, 4-dihydro-2, 2-dimethyl-3-hydroxy-2H-1-benzopyran | Q27255763 | 2H-Benzo(b)pyran-3-ol,
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
Tonabersat is a novel benzopyran compound, which in animal models inhibits neurogenic inflammation, blocks propagation of spreading depression and inhibits trigeminal nerve ganglion stimulation-induced carotid vasodilatation.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC(=O)C1=CC2=C(C=C1)OC(C(C2NC(=O)C3=CC(=C(C=C3)F)Cl)O)(C)C IUPAC Name N-[(3S,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-chloro-4-fluorobenzamide InChIKey XLIIRNOPGJTBJD-ROUUACIJSA-N INCHI 1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1 Isomeric SMILES CC(=O)C1=CC2=C(C=C1)OC([C@H]([C@H]2NC(=O)C3=CC(=C(C=C3)F)Cl)O)(C)C PubChem CID 6918324 Molecular Weight 391.82
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzopyrans Subclass 1-benzopyrans Intermediate Tree Nodes Not available Direct Parent 2,2-dimethyl-1-benzopyrans Alternative Parents 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Acetophenones Benzamides Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Organochlorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents 2,2-dimethyl-1-benzopyran - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Acetophenone - Benzamide - Benzoic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid derivative - Ether - Oxacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO Molecular Weight 391.800 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 391.099 Da Monoisotopic Mass 391.099 Da Topological Polar Surface Area 75.600 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 586.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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