Structure Information
Structure

Compound Identification

SMILES

CC1=NN=C(SCC2=C(N3C(SC2)C(NC(=O)CCN2N=C(C(Br)=C2C2CC2)C(F)(F)F)C3=O)C(O)=O)S1

InChIKey

InChIKey=FIPNOHHWGSZXDU-UHFFFAOYSA-N

Formula

C21H20BrF3N6O4S3

Mass

653.51

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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 - Aryl thioether - Alkylarylthioether - Meta-thiazine - Aryl bromide - Aryl halide - Heteroaromatic compound - Azole - Pyrazole - Tertiary carboxylic acid amide - Thiadiazole - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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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