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Product Overview

Product Code

TRC-D290433

CAS Number

120905-00-2

Product Format

Neat

Molecular Formula

C28 H28 N10 O10 S6

Molecular Weight

856.97

API Family

Ceftiofur

Product Categories

TRC, Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Desfuroyl Ceftiofur Dimer

CAS Number

120905-00-2

Molecular Formula

C28 H28 N10 O10 S6

Molecular Weight

856.97

Accurate Mass

856.0314

SMILES

CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSSCC3=C(N4[C@H](SC3)[C@H](NC(=O)\C(=N/OC)\c5csc(N)n5)C4=O)C(=O)O)\c6csc(N)n6

InChI

InChI=1S/C28H28N10O10S6/c1-47-35-13(11-7-51-27(29)31-11)19(39)33-15-21(41)37-17(25(43)44)9(3-49-23(15)37)5-53-54-6-10-4-50-24-16(22(42)38(24)18(10)26(45)46)34-20(40)14(36-48-2)12-8-52-28(30)32-12/h7-8,15-16,23-24H,3-6H2,1-2H3,(H2,29,31)(H2,30,32)(H,33,39)(H,34,40)(H,43,44)(H,45,46)/b35-13-,36-14-/t15-,16-,23-,24-/m1/s1

IUPAC

(6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[[[(6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyldisulfanyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ceftiofur

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Desfuroyl Ceftiofur Dimer (>90%)

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