Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(COC(=O)C2=C(CBr)CS[C@@H]3C(NC(=O)CC4=CC=CS4)C(=O)N23)C=C1

InChIKey

InChIKey=MAEHDHRBWISZCE-UUSAFJCLSA-N

Formula

C21H18BrN3O6S2

Mass

552.41

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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 - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azetidine - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Dialkylthioether - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organic zwitterion - Organic oxygen compound - Organic salt - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl bromide - 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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