Structure Information
Structure

Compound Identification

SMILES

CC1=C(OC(=O)NCCSCC2=C(SC3=C(N4[C@H](SC3)[C@H](NC(=O)C(=N/O)\C3=C(Cl)SC(N)=N3)C4=O)C(O)=O)C=CN=C2)OC(=O)O1

InChIKey

InChIKey=QNMISEGSLBIMBB-JTMPDWELSA-N

Formula

C25H22ClN7O10S4

Mass

744.18

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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 Aryl thioethers 2,4,5-trisubstituted thiazoles Vinylogous thioesters Carbonic acid diesters Aryl chlorides Pyridines and derivatives 1,3-thiazines 2-amino-1,3-thiazoles Carbamate esters Tertiary carboxylic acid amides Heteroaromatic compounds Ketoximes Azetidines Thioenol ethers Secondary carboxylic acid amides Amino acids Carboxylic acids Thiohemiaminal derivatives Sulfenyl compounds Dialkylthioethers Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4,5-trisubstituted 1,3-thiazole - Pyridine - Carbonic acid diester - Meta-thiazine - Vinylogous thioester - 1,3-thiazol-2-amine - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Carbamic acid ester - Azole - Thiazole - Heteroaromatic compound - Ketoxime - Thioenolether - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Amino acid or derivatives - Amino acid - Oxacycle - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Primary amine - Organic oxide - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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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