Structure Information
Structure

Compound Identification

SMILES

C[N+]1(CC2=C(N3[C@H](SC2)[C@H](NC(=O)COC2=CC=CC=C2)C3=O)C([O-])=O)CCN(CC1)C1=CC=CC=C1

InChIKey

InChIKey=IROPSZRAXNDASN-ZEQKJWHPSA-N

Formula

C27H30N4O5S

Mass

522.62

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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 - N-arylpiperazine - Phenylpiperazine - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - N-methylpiperazine - Alkyl aryl ether - Benzenoid - Piperazine - Meta-thiazine - 1,4-diazinane - Monocyclic benzene moiety - Quaternary ammonium salt - Tertiary carboxylic acid amide - Tetraalkylammonium salt - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Tertiary amine - Thioether - Hemithioaminal - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - 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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