Catalog Number:
AG00C2R5
Chemical Name:
1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid
CAS Number:
264236-79-5
Molecular Formula:
C23H20F3N3O10S
Molecular Weight:
587.4792
MDL Number:
MFCD28138278
IUPAC Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoyl]oxyoxane-2-carboxylic acid
InChI:
InChI=1S/C23H20F3N3O10S/c24-23(25,26)15-9-14(29(28-15)12-5-7-13(8-6-12)40(27,36)37)10-1-3-11(4-2-10)21(35)39-22-18(32)16(30)17(31)19(38-22)20(33)34/h1-9,16-19,22,30-32H,(H,33,34)(H2,27,36,37)/t16-,17-,18+,19-,22-/m0/s1
InChI Key:
ZSTBSABHKHAHNU-QUXXCFOZSA-N
SMILES:
OC(=O)[C@H]1O[C@@H](OC(=O)c2ccc(cc2)c2cc(nn2c2ccc(cc2)S(=O)(=O)N)C(F)(F)F)[C@@H]([C@H]([C@@H]1O)O)O
UNII:
U914CMX58G
