Structure Information
Structure

Compound Identification

SMILES

CC1=[N+](CC[NH3+])C(CCC(O)=O)=CC(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CSC2=C(Cl)C=CC(Cl)=C2)C3=O)C(O)=O)=C1

InChIKey

InChIKey=RGGNEHIRDNARSU-ZEQKJWHPSA-P

Formula

C27H30Cl2N4O6S3

Mass

673.64

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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 Thiophenol ethers Dichlorobenzenes Alkylarylthioethers Methylpyridines 1,3-thiazines Aryl chlorides Dicarboxylic acids and derivatives Pyridinium derivatives Quaternary ammonium salts Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Amino acids Tertiary amines Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organochlorides Monoalkylamines Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 1,4-dichlorobenzene - Thiophenol ether - Chlorobenzene - Halobenzene - Methylpyridine - Alkylarylthioether - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Pyridine - Aryl halide - Aryl chloride - Meta-thiazine - Pyridinium - Heteroaromatic compound - Tertiary carboxylic acid amide - Quaternary ammonium salt - Amino acid - Carboxamide group - Azetidine - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Thioether - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organochloride - Organohalogen compound - Organic cation - 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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