Compound Identification
SMILES
CC1=NN=C(SCC2=C(N3C(SC2)C(NC(=O)CCN2N=C(C(Br)=C2C2CC2)C(F)(F)F)C3=O)C(O)=O)S1
InChIKey
InChIKey=FIPNOHHWGSZXDU-UHFFFAOYSA-N
Formula
C21H20BrF3N6O4S3
Mass
653.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
-
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 Alkylarylthioethers 1,3-thiazines Aryl bromides Thiadiazoles Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Alkyl fluorides Organobromides Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Meta-thiazine - Aryl bromide - Aryl halide - Heteroaromatic compound - Azole - Pyrazole - Tertiary carboxylic acid amide - Thiadiazole - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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