Compound Identification
SMILES
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3(C)CC[C@@H](O)[C@H](O)C3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=LXKAAIQSFJMNCO-BNELUYLPSA-N
Formula
C20H26N6O7S2
Mass
526.58
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 - Cephalosporins
Direct Parent
3'-quaternary ammonium cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles Piperidines 1,3-thiazines 2-amino-1,3-thiazoles Tetraalkylammonium salts Tertiary carboxylic acid amides Heteroaromatic compounds 1,2-aminoalcohols Secondary carboxylic acid amides Secondary alcohols 1,2-diols Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Primary amines Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides
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 - Piperidine - Meta-thiazine - 1,3-thiazol-2-amine - Azole - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiazole - Tetraalkylammonium salt - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid salt - Azetidine - 1,2-diol - Amino acid or derivatives - 1,2-aminoalcohol - Amino acid - Carboxamide group - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Dialkylthioether - Azacycle - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Organic zwitterion - Amine - Organic salt - Alcohol - Hydrocarbon derivative - 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