Compound Identification
SMILES
CO\N=C(\C(=O)NC1C2SCC(CN3N=[N+](C)C4=CC=CC=C34)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=QBGRSWXDJSAHTB-AFUMVMLFSA-O
Formula
C21H21N8O5S2
Mass
529.57
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 Benzotriazoles 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Benzenoids Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Primary amines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzotriazole - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Triazole - 1,2,3-triazole - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azetidine - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hemithioaminal - Azacycle - Dialkylthioether - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic cation - 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