Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C(F)(F)F.CC(C)(O\N=C(/C(=O)NC1C2SCC(CSC3=[N+](N)C=CC(N)=N3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1)C(O)=O

InChIKey

InChIKey=QWFANPDLVNWKLN-XCIPSFDASA-N

Formula

C23H24F3N9O9S3

Mass

723.67

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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 2,4-disubstituted thiazoles Alkylarylthioethers Aminopyrimidines and derivatives 1,3-thiazines 2-amino-1,3-thiazoles Imidolactams Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Organic oxides Organic zwitterions Hydrocarbon derivatives Primary amines Alkyl fluorides Carbonyl compounds Organofluorides

Molecular Framework

Not available

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Imidolactam - Pyrimidine - Alpha-halocarboxylic acid - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Alpha-halocarboxylic acid or derivatives - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Dialkylthioether - Azacycle - Carboxylic acid - Thioether - Hemithioaminal - Sulfenyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - 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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