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Product Overview

Product Code

TRC-D562010

CAS Number

137908-79-3

Product Format

Neat

Molecular Formula

C23H30N2O7

Molecular Weight

446.5

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

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Product Information

Chemical Data

Analyte Name

Doxylamine beta-D-Glucuronide (Mixture of diastereomers)

CAS Number

137908-79-3

Molecular Formula

C23H30N2O7

Molecular Weight

446.5

Accurate Mass

446.2053

SMILES

CC(OCC[N+](C)(C)C1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)[O-])(c2ccccc2)c3ccccn3

InChI

InChI=1S/C23H30N2O7/c1-23(15-9-5-4-6-10-15,16-11-7-8-12-24-16)31-14-13-25(2,3)21-19(28)17(26)18(27)20(32-21)22(29)30/h4-12,17-21,26-28H,13-14H2,1-3H3/t17-,18-,19+,20-,21?,23?/m0/s1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Doxylamine Beta-D-Glucuronide (Mixture of diastereomers)

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