Analyte Name

Candesartan Acyl-Glucuronide

CAS Number

180603-77-4

Molecular Formula

C30H28N6O9

Molecular Weight

616.58

Accurate Mass

616.19

SMILES

O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O1)C2=CC=CC3=C2N(CC4=CC=C(C5=CC=CC=C5C6=NN=NN6)C=C4)C(OCC)=N3

InChI

InChI=1S/C30H28N6O9/c1-2-43-30-31-20-9-5-8-19(28(42)45-29-24(39)22(37)23(38)25(44-29)27(40)41)21(20)36(30)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)26-32-34-35-33-26/h3-13,22-25,29,37-39H,2,14H2,1H3,(H,40,41)(H,32,33,34,35)/t22-,23-,24+,25?,29-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-((1-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carbonyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Candesartan