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Product Overview

Product Code

TRC-D288275

CAS Number

958001-61-1

Product Format

Neat

Molecular Formula

C17 H26 N4 O5 S2

Molecular Weight

430.54

Product Categories

TRC, Other antibacterials

Documentation

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Product Information

Chemical Data

Analyte Name

Desacetyl Cefathiamidine

CAS Number

958001-61-1

Molecular Formula

C17 H26 N4 O5 S2

Molecular Weight

430.54

Accurate Mass

430.1345

SMILES

CC(C)N\C(=N/C(C)C)\SCC(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CO

InChI

InChI=1S/C17H26N4O5S2/c1-8(2)18-17(19-9(3)4)28-7-11(23)20-12-14(24)21-13(16(25)26)10(5-22)6-27-15(12)21/h8-9,12,15,22H,5-7H2,1-4H3,(H,18,19)(H,20,23)(H,25,26)/t12-,15-/m1/s1

IUPAC

(6R,7R)-7-[[2-[(E)-N,N'-diisopropylcarbamimidoyl]sulfanylacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Dry Pack

Country of Origin

CANADA

Product Format

Neat

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