Analyte Name

Finasteride 2-(2-Methylpropanol)amide beta-D-Glucuronide

CAS Number

1196787-38-8

Molecular Formula

C29 H44 N2 O9

Molecular Weight

564.67

Accurate Mass

564.3047

SMILES

CC(C)(CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)NC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C

InChI

InChI=1S/C29H44N2O9/c1-27(2,13-39-26-22(35)20(33)21(34)23(40-26)25(37)38)31-24(36)17-7-6-15-14-5-8-18-29(4,12-10-19(32)30-18)16(14)9-11-28(15,17)3/h10,12,14-18,20-23,26,33-35H,5-9,11,13H2,1-4H3,(H,30,32)(H,31,36)(H,37,38)/t14-,15-,16-,17+,18+,20-,21-,22+,23-,26+,28-,29+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-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-propoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat