Compound Identification
SMILES
OC(=O)C(F)(F)F.NC(C(=O)NC1C2SCC(CC(=O)C3=CC=CC=C3)=C(N2C1=O)C(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=INBITDYGAZOGSU-UHFFFAOYSA-N
Formula
C25H22F3N3O7S
Mass
565.52
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
Alkyl-phenylketones N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Aryl alkyl ketones Benzoyl derivatives Aralkylamines 1,3-thiazines Tertiary carboxylic acid amides Alpha-halocarboxylic acids Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Monoalkylamines Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Cephalosporin - Alkyl-phenylketone - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Ketone - Amino acid - Hemithioaminal - Thioether - Dialkylthioether - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Primary amine - Primary aliphatic amine - Carbonyl group - Organic oxide - Alkyl fluoride - Hydrocarbon derivative - Organohalogen compound - Amine - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Alkyl halide - 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