Structure Information
Structure

Compound Identification

SMILES

NCC(=O)NC1C[N+]2(CC3=C(N4[C@H](SC3)[C@H](NC(=O)CSC3=C(Cl)C=CC(Cl)=C3)C4=O)C([O-])=O)CCC1CC2

InChIKey

InChIKey=QNHSUWDBUIBSPR-YRJIKSHESA-N

Formula

C25H29Cl2N5O5S2

Mass

614.56

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems - Cephalosporins

Direct Parent

3'-quaternary ammonium cephalosporins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3'-quaternary ammonium cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Quinuclidine - Aryl thioether - Thiophenol ether - 1,4-dichlorobenzene - Halobenzene - Chlorobenzene - Alkylarylthioether - Meta-thiazine - Piperidine - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Tertiary carboxylic acid amide - Tetraalkylammonium salt - Quaternary ammonium salt - Amino acid - Amino acid or derivatives - Carboxylic acid salt - Carboxamide group - Azetidine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Sulfenyl compound - Hemithioaminal - Dialkylthioether - Thioether - Carboxylic acid - Azacycle - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3'-quaternary ammonium cephalosporins. These are cephalosporins that are substituted at the 3'-position by a quaternary ammonium group.

External Descriptors

Not available

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