Structure Information
Structure

Compound Identification

SMILES

OC(C(=O)NC1[C@@H]2SCC(CSC3=NN4C(=O)N(CC(O)=O)N=C4C=C3)=C(N2C1=O)C(O)=O)C1=CC(Cl)=CC=C1

InChIKey

InChIKey=VKYYBRWRMCHXEG-IAYYMHMVSA-N

Formula

C23H19ClN6O8S2

Mass

607.01

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems

Direct Parent

Cephalosporins

Alternative Parents

N-acyl-alpha amino acids and derivatives Aryl 1,2,4-triazolones Phenylacetamides Triazolopyridazines Alkylarylthioethers Chlorobenzenes 1,3-thiazines Aryl chlorides Pyridazines and derivatives Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Azetidines Dialkylthioethers Carboxylic acids Azacyclic compounds Sulfenyl compounds Thiohemiaminal derivatives Organonitrogen compounds Carbonyl compounds Aromatic alcohols Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Aryl 1,2,4-triazol-3-one - Alpha-amino acid or derivatives - Phenylacetamide - Triazolopyridazine - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Pyridazine - Aryl halide - Aryl chloride - Meta-thiazine - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - 1,2,4-triazole - Secondary alcohol - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Azacycle - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Thioether - Organic oxide - Aromatic alcohol - Carbonyl group - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.

External Descriptors

Not available

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