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· · COA & SDS available for every product · Same-day shipping on in-stock items Fandosentan , CAS No.221241-63-0
Synonyms
FANDOSENTAN | Fandosentan [INN] | 771E5ELJ7N | UNII-771E5ELJ7N | DTXSID4047250 | YMGQBWRXNCAABF-UHFFFAOYSA-N | PD-180988 FREE ACID | BDBM50532592 | L017815 | Q27266536 | 2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC ACID, 4-(7-ETHYL-1,3-BENZODIOXOL-5-YL)-2-(2-(TRIFLU
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
FANDOSENTAN | Fandosentan [INN] | 771E5ELJ7N | UNII-771E5ELJ7N | DTXSID4047250 | YMGQBWRXNCAABF-UHFFFAOYSA-N | PD-180988 FREE ACID | BDBM50532592 | L017815 | Q27266536 | 2H-1, 2-BENZOTHIAZINE-3-CARBOXYLIC ACID, 4-(7-ETHYL-1, 3-BENZODIOXOL-5-YL)-2-(2-(TRIFLU
Product Properties Names and Identifiers Canonical Smiles CCC1=C2C(=CC(=C1)C3=C(N(S(=O)(=O)C4=CC=CC=C43)C5=CC=CC=C5C(F)(F)F)C(=O)O)OCO2 IUPAC Name 4-(7-ethyl-1,3-benzodioxol-5-yl)-1,1-dioxo-2-[2-(trifluoromethyl)phenyl]-1lambda6,2-benzothiazine-3-carboxylic acid InChIKey YMGQBWRXNCAABF-UHFFFAOYSA-N INCHI 1S/C25H18F3NO6S/c1-2-14-11-15(12-19-23(14)35-13-34-19)21-16-7-3-6-10-20(16)36(32,33)29(22(21)24(30)31)18-9-5-4-8-17(18)25(26,27)28/h3-12H,2,13H2,1H3,(H,30,31) Isomeric SMILES CCC1=C2C(=CC(=C1)C3=C(N(S(=O)(=O)C4=CC=CC=C43)C5=CC=CC=C5C(F)(F)F)C(=O)O)OCO2 PubChem CID 157574 Molecular Weight 517.5
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 Benzothiazines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzothiazines Alternative Parents Trifluoromethylbenzenes Sulfanilides Alpha amino acids and derivatives Benzodioxoles 1,2-thiazines Organosulfonamides Oxacyclic compounds Acetals Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzothiazine - Sulfanilide - Benzodioxole - Ortho-thiazine - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 517.500 g/mol XLogP3 5.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 4 Exact Mass 517.081 Da Monoisotopic Mass 517.081 Da Topological Polar Surface Area 102.000 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 993.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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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