Carprofen Glucuronide

Analyte Name

Carprofen Glucuronide

CAS Number

76319-13-6

Molecular Formula

C21 H20 Cl N O8

Molecular Weight

449.84

Accurate Mass

449.0877

SMILES

CC(C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)c2ccc3c(c2)[nH]c4ccc(Cl)cc34

InChI

InChI=1S/C21H20ClNO8/c1-8(20(29)31-21-17(26)15(24)16(25)18(30-21)19(27)28)9-2-4-11-12-7-10(22)3-5-13(12)23-14(11)6-9/h2-8,15-18,21,23-26H,1H3,(H,27,28)/t8?,15-,16-,17+,18-,21-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[2-(6-chloro-9H-carbazol-2-yl)propanoyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Carprofen

Purity

>95% (HPLC)