Compound Identification
SMILES
O.O.CO\N=C(\C(=O)NC1C2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=BKKMKQKORSFGQK-BDXDFEPYSA-N
Formula
C19H28N6O7S2
Mass
516.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
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Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems - Cephalosporins
Direct Parent
3'-quaternary ammonium cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles N-alkylpyrrolidines 2-amino-1,3-thiazoles 1,3-thiazines Tetraalkylammonium salts Heteroaromatic compounds Tertiary carboxylic acid amides Carboxylic acid salts Amino acids Azetidines Secondary carboxylic acid amides Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-quaternary ammonium 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 - N-alkylpyrrolidine - Tetraalkylammonium salt - Azole - Heteroaromatic compound - Pyrrolidine - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Azacycle - Hemithioaminal - Thioether - Dialkylthioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3'-quaternary ammonium cephalosporins. These are cephalosporins that are substituted at the 3'-position by a quaternary ammonium group.
External Descriptors
Not available