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Product Overview

Product Code

TRC-H761510

CAS Number

144964-58-9

Product Format

Neat

Molecular Formula

C23 H21 Cl N4 O7

Molecular Weight

500.89

API Family

Alprazolam

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

1-Hydroxy Alprazolam beta-D-Glucuronide

CAS Number

144964-58-9

Molecular Formula

C23 H21 Cl N4 O7

Molecular Weight

500.89

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Alprazolam

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Product Overview

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Chemical Data

Product Data

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1-Hydroxy Alprazolam beta-D-Glucuronide (>80%)

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