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Product Overview

Product Code

TRC-D460618

CAS Number

142843-04-7

Product Format

Neat

Molecular Formula

C22 H26 N2 O5 S

Molecular Weight

430.52

API Family

Diltiazem Hydrochloride

Product Categories

Impurity Reference Materials , TRC

Product Type

Impurity, Metabolite, API

Documentation

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Product Information

Chemical Data

Analyte Name

Diltiazem N-Oxide

CAS Number

142843-04-7

Molecular Formula

C22 H26 N2 O5 S

Molecular Weight

430.52

Accurate Mass

430.1562

SMILES

COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CC[N+](C)(C)[O-])C(=O)[C@@H]2OC(=O)C

InChI

InChI=1S/C22H26N2O5S/c1-15(25)29-20-21(16-9-11-17(28-4)12-10-16)30-19-8-6-5-7-18(19)23(22(20)26)13-14-24(2,3)27/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1

IUPAC

2-[(2S,3S)-3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N,N-dimethylethanamine oxide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Diltiazem Hydrochloride

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