Compound Identification
SMILES
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+](C)(CCO)CCO)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=USHLFOFWFHJQEE-ZKDACBOMSA-N
Formula
C19H26N6O7S2
Mass
514.57
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 - Cephalosporins
Direct Parent
3'-quaternary ammonium cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles 1,3-thiazines Heteroaromatic compounds Tetraalkylammonium salts Tertiary carboxylic acid amides Azetidines Carboxylic acid salts Secondary carboxylic acid amides Amino acids 1,2-aminoalcohols Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary alcohols 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 - Azole - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiazole - Tetraalkylammonium salt - Heteroaromatic compound - Amino acid or derivatives - 1,2-aminoalcohol - Secondary carboxylic acid amide - Azetidine - Carboxylic acid salt - Amino acid - Carboxamide group - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Dialkylthioether - Carboxylic acid derivative - Azacycle - Alkanolamine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Primary amine - Organic zwitterion - Amine - Organic salt - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen 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