Structure Information
Structure

Compound Identification

SMILES

[Na+].CCO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C([O-])=O)C1=CSC(NC(=O)CCl)=N1

InChIKey

InChIKey=ADYUFVOEIJMGBG-HCWFMMTPSA-M

Formula

C19H19ClN9NaO6S3

Mass

624.04

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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 N-arylamides Alkylarylthioethers 2,4-disubstituted thiazoles 1,3-thiazines Chloroacetamides Heteroaromatic compounds Tetrazoles Tertiary carboxylic acid amides Carboxylic acid salts Azetidines Secondary carboxylic acid amides Organic metal halides Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Dialkylthioethers Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Alkyl chlorides Organic zwitterions Organochlorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - Chloroacetamide - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Thiazole - Azetidine - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Thioether - Dialkylthioether - Sulfenyl compound - Organic alkali metal salt - Hemithioaminal - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic zwitterion - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Alkyl chloride - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organosulfur compound - Alkyl halide - Organic sodium salt - Organic salt - 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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