Structure Information
Structure

Compound Identification

SMILES

CC1=C(N2[C@H](SC1=CBr)C(NC(=O)COC1=CC=CC=C1)C2=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=GYODJPPTJXSJAA-GWQXNCQPSA-N

Formula

C24H20BrN3O7S

Mass

574.4

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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 Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers 1,3-thiazines Enoate esters Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Thioenol ethers Azacyclic compounds Organic oxoazanium compounds Thiohemiaminal derivatives Vinyl bromides Monocarboxylic acids and derivatives Bromoalkenes Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organonitrogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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