1'-Hydroxy Midazolam-Beta-D-glucuronide

Analyte Name

1'-Hydroxy Midazolam-beta-D-glucuronide

CAS Number

81256-81-7

Molecular Formula

C24 H21 Cl F N3 O7

Molecular Weight

517.89

Accurate Mass

517.1052

SMILES

O[C@H]1[C@H](OCc2ncc3CN=C(c4ccccc4F)c5cc(Cl)ccc5n23)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O

InChI

InChI=1S/C24H21ClFN3O7/c25-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)26)28-9-12-8-27-17(29(12)16)10-35-24-21(32)19(30)20(31)22(36-24)23(33)34/h1-8,19-22,24,30-32H,9-10H2,(H,33,34)/t19-,20-,21+,22-,24+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methoxy]-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

Midazolam

Purity

>95% (HPLC)