Structure Information
Structure

Compound Identification

SMILES

CC1=NC2=NC(=NN2C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/OC(=O)C2=CC(OC(=O)CCl)=C(OC(=O)CCl)C(OC(=O)CCl)=C2)\C2=CSC(N)=N2)C3=O)C(O)=O)=C1)C(O)=O

InChIKey

InChIKey=JRRSZAPXDWERFN-BXVMDIMVSA-N

Formula

C33H24Cl3N9O14S3

Mass

973.13

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - Tetracarboxylic acid or derivatives - N-acyl-alpha amino acid or derivatives - Gallic acid or derivatives - Phenol ester - Alpha-amino acid or derivatives - Triazolopyrimidine - Benzoic acid or derivatives - Phenoxy compound - Aryl thioether - Benzoyl - Alkylarylthioether - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Benzenoid - Pyrimidine - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Alpha-halocarboxylic acid derivative - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Oximester - Tertiary carboxylic acid amide - 1,2,4-triazole - Azole - Triazole - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Carboxylic acid ester - Amino acid or derivatives - Azetidine - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Organosulfur compound - Primary amine - Organic oxide - Alkyl halide - Alkyl chloride - Organic oxygen compound - Amine - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organochloride - 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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