Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(COC(=O)C2=CC=NC=C2)CSC2[C@H](NC(=O)CSC3=C(Cl)C=CC(Cl)=C3)C(=O)N12

InChIKey

InChIKey=NMLRIZGQOPAKBL-DIAVIDTQSA-N

Formula

C22H17Cl2N3O6S2

Mass

554.41

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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