Irbesartan N-Beta-D-Glucuronide

Analyte Name

Irbesartan N-beta-D-Glucuronide

CAS Number

160205-58-3

Molecular Formula

C31 H36 N6 O7

Molecular Weight

604.65

Accurate Mass

604.2645

SMILES

CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nnnn5C6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O

InChI

InChI=1S/C31H36N6O7/c1-2-3-10-22-32-31(15-6-7-16-31)30(43)36(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)27-33-34-35-37(27)28-25(40)23(38)24(39)26(44-28)29(41)42/h4-5,8-9,11-14,23-26,28,38-40H,2-3,6-7,10,15-17H2,1H3,(H,41,42)/t23-,24-,25+,26-,28?/m0/s1

IUPAC

(2S,3S,4S,5R)-6-[5-[2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenyl]tetrazol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Irbesartan

Purity

>95% (HPLC)