Compound Identification
SMILES
CO\N=C(\C(=O)NC1C2SCC(CN3C=N[N+]4=C(C)C=CC=C34)=C(N2C1=O)C([O-])=O)C1=C(Cl)SC(N)=N1
InChIKey
InChIKey=SOQIZUFXQNHQTA-UVHMKAGCSA-N
Formula
C21H19ClN8O5S2
Mass
563.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
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 Triazolopyridines 2,4,5-trisubstituted thiazoles Methylpyridines 1,3-thiazines Pyridinium derivatives 2-amino-1,3-thiazoles Aryl chlorides Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic zwitterions Carbonyl compounds Primary amines Organochlorides Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Triazolopyridine - 2,4,5-trisubstituted 1,3-thiazole - Methylpyridine - Meta-thiazine - Pyridine - Aryl chloride - 1,3-thiazol-2-amine - Aryl halide - Pyridinium - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - 1,2,4-triazole - Azole - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Hemithioaminal - Carboxylic acid derivative - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organic zwitterion - Organic oxygen compound - Organic salt - Primary amine - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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