Compound Identification
SMILES
Br.CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(C[N+]3=CC=C(N)N3CCO)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=BTSKUSJIZAHMSW-WRBVYQNNSA-N
Formula
C19H23BrN8O6S2
Mass
603.47
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 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Pyrazoles Carboxylic acid salts Azetidines Amino acids Secondary carboxylic acid amides Alkanolamines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrobromides Hydrocarbon derivatives Organic oxides Organic zwitterions Primary alcohols Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Pyrazole - Azole - Carboxylic acid salt - Carboxamide group - Azetidine - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Alkanolamine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary amine - Carbonyl group - Organic zwitterion - Organic salt - Hydrobromide - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen 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