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Product Overview

Product Code

TRC-C168240

CAS Number

172986-25-3

Product Format

Neat

Molecular Formula

C19 H14 Br Cl N2 O5

Molecular Weight

465.682

Product Categories

Benzodiazepines Reference Materials , TRC

Product Information

Chemical Data

Analyte Name

Cinazepam

CAS Number

172986-25-3

Molecular Formula

C19 H14 Br Cl N2 O5

Molecular Weight

465.682

Accurate Mass

463.977

SMILES

OC(=O)CCC(=O)OC1N=C(c2ccccc2Cl)c3cc(Br)ccc3NC1=O

InChI

InChI=1S/C19H14BrClN2O5/c20-10-5-6-14-12(9-10)17(11-3-1-2-4-13(11)21)23-19(18(27)22-14)28-16(26)8-7-15(24)25/h1-6,9,19H,7-8H2,(H,22,27)(H,24,25)

IUPAC

4-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid

Product Data

Country of Origin

CANADA

Product Format

Neat

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