Structure Information
Structure

Compound Identification

SMILES

[Na+].NC1=NC(\C(=N\O)C(=O)N[C@H]2[C@H]3SCC(\C=C/C4=CC(Cl)=NO4)=C(N3C2=O)C([O-])=O)=C(Cl)S1

InChIKey

InChIKey=XHJHEIAHVLOCQG-XZCFXLLHSA-M

Formula

C17H11Cl2N6NaO6S2

Mass

553.32

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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 2,4,5-trisubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Ketoximes Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic metal halides Organic zwitterions Hydrocarbon derivatives Organochlorides Carbonyl compounds Primary amines Organic sodium salts Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Aryl chloride - Aryl halide - Isoxazole - Heteroaromatic compound - Ketoxime - Azole - Tertiary carboxylic acid amide - Thiazole - Amino acid - Amino acid or derivatives - Carboxylic acid salt - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Azacycle - Oxacycle - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Dialkylthioether - Thioether - Hemithioaminal - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen 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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