Compound Identification
SMILES
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3(C)C[C@@H](O)[C@H](O)C3)=C(N2C1=O)C([O-])=O)C1=NSC(N)=N1
InChIKey
InChIKey=JHYWIOSFJBVIBD-HVYNUBRCSA-N
Formula
C18H23N7O7S2
Mass
513.54
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 N-alkylpyrrolidines 1,3-thiazines Heteroaromatic compounds Thiadiazoles Tetraalkylammonium salts Tertiary carboxylic acid amides Azetidines Carboxylic acid salts Secondary carboxylic acid amides Secondary alcohols Amino acids 1,2-diols 1,2-aminoalcohols Carboxylic acids Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives 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 - N-alkylpyrrolidine - Meta-thiazine - Pyrrolidine - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiadiazole - Azole - Heteroaromatic compound - Tetraalkylammonium salt - 1,2-diol - Carboxylic acid salt - Carboxamide group - Secondary alcohol - Azetidine - Amino acid or derivatives - Secondary carboxylic acid amide - 1,2-aminoalcohol - Amino acid - Azacycle - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Organic oxide - Organic zwitterion - Carbonyl group - Organic oxygen compound - Organic salt - Alcohol - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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