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Product Overview

Product Code

TRC-C176620

CAS Number

100827-80-3

Product Format

Neat

Molecular Formula

C17 H15 Cl N2 O3 S

Molecular Weight

362.83

Product Categories

Enzyme inhibitors, TRC, Impurity Reference Materials

Product Type

Native/Parent, Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one

CAS Number

100827-80-3

Molecular Formula

C17 H15 Cl N2 O3 S

Molecular Weight

362.83

Accurate Mass

362.0492

SMILES

COC(=O)CCc1cc2C(=NCC(=O)Nc2s1)c3ccccc3Cl

InChI

InChI=1S/C17H15ClN2O3S/c1-23-15(22)7-6-10-8-12-16(11-4-2-3-5-13(11)18)19-9-14(21)20-17(12)24-10/h2-5,8H,6-7,9H2,1H3,(H,20,21)

IUPAC

methyl 3-[5-(2-chlorophenyl)-2-oxo-1,3-dihydrothieno[2,3-e][1,4]diazepin-7-yl]propanoate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Product Description

Intermediate in the preparation of platelet-activating factor (PAF) antagonists

References: Bechtel, W.D., et al.: J. Pharm. Sci., 74, 1265 (1985),

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7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one

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