2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid
CAS Registry Number®
151262-59-8
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CAS Name
2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acidMolecular Formula
C24H22F4N2O10SMolecular Mass
606.50Cite this Page
2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=151262-59-8 (retrieved ) (CAS RN: 151262-59-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H22F4N2O10S/c1-23(10-41(37,38)14-6-3-12(25)4-7-14,40-21-18(33)16(31)17(32)19(39-21)20(34)35)22(36)30-13-5-2-11(9-29)15(8-13)24(26,27)28/h2-8,16-19,21,31-33H,10H2,1H3,(H,30,36)(H,34,35)/t16-,17-,18+,19-,21-,23?/m0/s1
InChIKey
InChIKey=OYKHNYWINRLUAP-CQNXPSKISA-N
SMILES
C(O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)(C(NC2=CC(C(F)(F)F)=C(C#N)C=C2)=O)(CS(=O)(=O)C3=CC=C(F)C=C3)C
Canonical SMILES
N#CC1=CC=C(C=C1C(F)(F)F)NC(=O)C(OC2OC(C(=O)O)C(O)C(O)C2O)(C)CS(=O)(=O)C3=CC=C(F)C=C3
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 2-[[4-cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl
- 2-[[4-Cyano-3-(trifluoromethyl)phenyl]amino]-1-[[(4-fluorophenyl)sulfonyl]methyl]-1-methyl-2-oxoethyl β-D-glucopyranosiduronic acid
Deleted or Replaced CAS Registry Numbers
152270-22-9
