Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CC#N)C2=O)C([O-])=O

InChIKey

InChIKey=GXCRUTWHNMMJEK-UHFFFAOYSA-M

Formula

C13H12N3NaO6S

Mass

361.3

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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

Cephalosporin 3'-esters

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Meta-thiazine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxylic acid ester - Carboxamide group - Azetidine - Azacycle - Organic alkali metal salt - Dialkylthioether - Hemithioaminal - Thioether - Nitrile - Carbonitrile - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.

External Descriptors

Not available

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