Structure Information
Structure

Compound Identification

SMILES

OC1=CC=C(NC(=O)C[N+]2=CC=C(CN3CC\C(=C/C4=C(N5[C@H](SC4)[C@H](NC(=O)CSC4=CC(Cl)=C(Cl)C=C4Cl)C5=O)C([O-])=O)C3=O)C=C2)C=C1

InChIKey

InChIKey=XNDDQMIUQYUPBH-NFJKZXBSSA-N

Formula

C34H28Cl3N5O7S2

Mass

789.1

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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 Anilides Thiophenol ethers N-arylamides Chlorobenzenes Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides N-alkylpyrrolidines Pyrrolidine-2-ones Pyridinium derivatives 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Sulfenyl compounds Carboxylic acids Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Anilide - Aryl thioether - Thiophenol ether - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Alkylarylthioether - Meta-thiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxylic acid derivative - Dialkylthioether - Azacycle - Sulfenyl compound - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Organosulfur compound - Organic nitrogen compound - Organic zwitterion - 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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