Compound Identification
SMILES
OC(=O)C1=C(COC2=C(OC3=C(Cl)C=C(Cl)C=C3)C=CC(Cl)=C2)CS[C@@H]2[C@H](NC(=O)COC3=CC=C(O)C=C3)C(=O)N12
InChIKey
InChIKey=CMEXJBNAYDKXRM-SHQCIBLASA-N
Formula
C28H21Cl3N2O8S
Mass
651.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
-
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 Diphenylethers Diarylethers 4-alkoxyphenols Phenoxy compounds Phenol ethers Dichlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1,3-thiazines Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Diphenylether - Diaryl ether - Alpha-amino acid or derivatives - 4-alkoxyphenol - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Meta-thiazine - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - 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