Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].CC1=C(CC([O-])=O)SC(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N\OC(C)(C)C([O-])=O)\C2=CSC(N)=N2)C3=O)C([O-])=O)=N1

InChIKey

InChIKey=LUCQDMUSUVPPEY-ROUZFCGHSA-K

Formula

C23H21N6Na3O9S4

Mass

722.66

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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 Tricarboxylic acids and derivatives 2,4,5-trisubstituted thiazoles 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Organic oxides Primary amines Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic sodium salts

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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