Zomepirac glucuronide
Molecular Formula:
C21H22ClNO9
InChI: InChI=1/C21H22ClNO9/c1-9-7-12(23(2)14(9)15(25)10-3-5-11(22)6-4-10)8-13(24)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h3-7,16-19,21,26-28H,8H2,1-2H3,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1/f/h29H
InChIKey: InChIKey=FNGKIZYZSHHXJZ-ANMQLBHIDP
SMILES: CC1=C(N(C(=C1)CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)C)C(=O)C3=CC=C(C=C3)Cl
Names:
beta-D-Glucopyranuronic acid, 1-(5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate)
Zomepirac glucuronide
(2S,3S,4S,5R,6S)-6-[2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetyl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
75871-31-7
Registries:
PubChem CID 64760
PubChem ID 206702
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