Compound Identification
SMILES
CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(C[N+]34CCC(CC3)(CC4)C(N)=O)=C(N2C1=O)C([O-])=O)C1=NSC(N)=N1
InChIKey
InChIKey=JUVHVMCKLDZLGN-WEKFLEGNSA-N
Formula
C21H26N8O6S2
Mass
550.61
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 Piperidinecarboxamides Quinuclidines 1,3-thiazines Thiadiazoles Tetraalkylammonium salts Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organic salts Primary amines Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-quaternary ammonium cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Piperidinecarboxamide - Quinuclidine - Meta-thiazine - Piperidine - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiadiazole - Tetraalkylammonium salt - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Azetidine - Carboxylic acid salt - Carboxamide group - Primary carboxylic acid amide - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organic oxide - Amine - Organic oxygen compound - Organic salt - Carbonyl group - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - 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