1-Hydroxy Alprazolam Beta-D-Glucuronide (>80%) (1.0mg/ml in Methanol)

Analyte Name

1-Hydroxy Alprazolam beta-D-Glucuronide

CAS Number

144964-58-9

Molecular Formula

C23 H21 Cl N4 O7

Molecular Weight

500.89

Measured Value

1.0 mg/mL

Accurate Mass

500.1099

SMILES

O[C@H]1[C@H](OCc2nnc3CN=C(c4ccccc4)c5cc(Cl)ccc5n23)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O

InChI

InChI=1S/C23H21ClN4O7/c24-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)25-9-15-26-27-16(28(14)15)10-34-23-20(31)18(29)19(30)21(35-23)22(32)33/h1-8,18-21,23,29-31H,9-10H2,(H,32,33)/t18-,19-,20+,21-,23+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-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 Format

Single Solution

Matrix

Methanol