Compound Identification
SMILES
OC(=O)C1=C(C[N+]23CCN(CC2)CC3)CS[C@@H]2[C@H](NC(=O)CSC3=C(Cl)C=CC(Cl)=C3)C(=O)N12
InChIKey
InChIKey=MGYBGCXEMDKCAV-WIYYLYMNSA-O
Formula
C22H25Cl2N4O4S2
Mass
544.49
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 Thiophenol ethers Dichlorobenzenes Alkylarylthioethers N-alkylpiperazines 1,3-thiazines Aryl chlorides Tetraalkylammonium salts Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-quaternary ammonium cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 1,4-dichlorobenzene - Thiophenol ether - Chlorobenzene - Halobenzene - N-alkylpiperazine - Alkylarylthioether - Meta-thiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tetraalkylammonium salt - Tertiary carboxylic acid amide - Quaternary ammonium salt - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Azetidine - Tertiary aliphatic amine - Sulfenyl compound - Azacycle - Dialkylthioether - Monocarboxylic acid or derivatives - Thioether - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic cation - 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