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Product Overview

Product Code

TRC-KIT3785-1ML

CAS Number

1346599-72-1

Product Format

Single Solution

Matrix

Acetonitrile

Molecular Formula

C1513CH12D3ClN2OS

Molecular Weight

322.83

Unlabelled CAS Number

33671-46-4

Product Information

Chemical Data

Analyte Name

Clotiazepam-13C,d3

CAS Number

1346599-72-1

Molecular Formula

C1513CH12D3ClN2OS

Molecular Weight

322.83

Measured Value

1 mg/mL

Accurate Mass

322.0815

SMILES

O=C1N([13C]([2H])([2H])[2H])C2=C(C=C(CC)S2)C(C3=CC=CC=C3Cl)=NC1

InChI

InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3/i2+1D3

IUPAC

5-(2-chlorophenyl)-7-ethyl-1-(trideuterio(113C)methyl)-3H-thieno[2,3-e][1,4]diazepin-2-one

Unlabelled CAS Number

33671-46-4

SIL Type

Deuterium, Carbon

Product Data

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile

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