Analyte Name

Finasteride carboxylic acid acyl-beta-D-Glucuronide

CAS Number

1196787-40-2

Molecular Formula

C29 H42 N2 O10

Molecular Weight

578.65

Accurate Mass

578.2893

SMILES

CC(C)(NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O

InChI

InChI=1S/C29H42N2O10/c1-27(2,26(39)41-25-21(35)19(33)20(34)22(40-25)24(37)38)31-23(36)16-7-6-14-13-5-8-17-29(4,12-10-18(32)30-17)15(13)9-11-28(14,16)3/h10,12-17,19-22,25,33-35H,5-9,11H2,1-4H3,(H,30,32)(H,31,36)(H,37,38)/t13-,14-,15-,16+,17+,19-,20-,21+,22-,25-,28-,29+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[2-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carbonyl]amino]-2-methyl-propanoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat