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Product Overview

Product Code

TRC-C241500

CAS Number

56187-47-4

Product Format

Neat

Molecular Formula

C18H15Cl2N5O5S3

Molecular Weight

548.44

Product Categories

TRC, Cephalosporins, API Reference Standards & Research Materials

Product Type

API

Alternate CAS Number

63521-15-3-for Na salt

Documentation

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Product Information

Chemical Data

Analyte Name

Cefazedone

CAS Number

56187-47-4

Molecular Formula

C18H15Cl2N5O5S3

Molecular Weight

548.44

Accurate Mass

546.9612

SMILES

Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CN4C=C(Cl)C(=O)C(=C4)Cl)C3=O)C(=O)O)s1

InChI

InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30)/t12-,16-/m1/s1

IUPAC

(6R,7R)-7-[[2-(3,5-dichloro-4-oxopyridin-1-yl)acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Alternate CAS Number

63521-15-3-for Na salt

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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