Structure Information
Structure

Compound Identification

SMILES

ClCC(=O)NC1=NC=C(S1)C1=C(N2C(C(NC(=O)CSC3=CC(Cl)=C(Cl)C=C3)C2=O)S(=O)C1)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=MQQOFYOMWTVZMC-UHFFFAOYSA-N

Formula

C33H25Cl3N4O6S3

Mass

776.12

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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 - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Aryl thioether - 1,2-dichlorobenzene - Thiophenol ether - N-arylamide - Chlorobenzene - 2,5-disubstituted 1,3-thiazole - Halobenzene - Alkylarylthioether - Benzenoid - Meta-thiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Tertiary carboxylic acid amide - Chloroacetamide - Heteroaromatic compound - Azole - Carboxamide group - Sulfoxide - Carboxylic acid ester - Secondary carboxylic acid amide - Azetidine - Carboxylic acid derivative - Sulfinyl compound - Azacycle - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl chloride - 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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