Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C1=C(C[N+]2=CC3=CC=CC=C3C=C2)CS[C@@H]2[C@H](NC(=O)CSC3=C(Cl)C=CC(Cl)=C3)C(=O)N12

InChIKey

InChIKey=DIWPMXGOFMMDHK-ZJSXRUAMSA-N

Formula

C25H19Cl2N3O4S2

Mass

560.46

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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