Compound Identification
SMILES
NCC(=O)NC1C[N+]2(CC3=C(N4[C@H](SC3)[C@H](NC(=O)CSC3=C(Cl)C=CC(Cl)=C3)C4=O)C([O-])=O)CCC1CC2
InChIKey
InChIKey=QNHSUWDBUIBSPR-YRJIKSHESA-N
Formula
C25H29Cl2N5O5S2
Mass
614.56
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 Alpha amino acid amides Thiophenol ethers Quinuclidines Dichlorobenzenes Alkylarylthioethers 1,3-thiazines Piperidines Aryl chlorides Tetraalkylammonium salts Tertiary carboxylic acid amides Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Organic oxides Carbonyl compounds Organic zwitterions Organic salts Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-quaternary ammonium cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Quinuclidine - Aryl thioether - Thiophenol ether - 1,4-dichlorobenzene - Halobenzene - Chlorobenzene - Alkylarylthioether - Meta-thiazine - Piperidine - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Tertiary carboxylic acid amide - Tetraalkylammonium salt - Quaternary ammonium salt - Amino acid - Amino acid or derivatives - Carboxylic acid salt - Carboxamide group - Azetidine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Sulfenyl compound - Hemithioaminal - Dialkylthioether - Thioether - Carboxylic acid - Azacycle - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Amine - 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