Structure Information
Structure

Compound Identification

SMILES

OCC[N+]1=CC=C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CSC2=C(Cl)C=C(\C=C\C(O)=O)C(Cl)=C2)C3=O)C(O)=O)C=C1

InChIKey

InChIKey=BGELSMXCTISBOD-LBPYOHCRSA-O

Formula

C26H24Cl2N3O7S3

Mass

657.57

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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 Cinnamic acids Thiophenol ethers Dichlorobenzenes Styrenes Alkylarylthioethers Pyridinium derivatives 1,3-thiazines Aryl chlorides Dicarboxylic acids and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Alkanolamines Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Sulfenyl compounds Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid - Alpha-amino acid or derivatives - Aryl thioether - 1,4-dichlorobenzene - Styrene - Thiophenol ether - Halobenzene - Alkylarylthioether - Chlorobenzene - Meta-thiazine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Monocyclic benzene moiety - Pyridinium - Tertiary carboxylic acid amide - Heteroaromatic compound - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Alkanolamine - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Hemithioaminal - Thioether - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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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