Compound Identification
SMILES
C[N+]1(CC2=C(N3[C@H](SC2)[C@H](NC(=O)COC2=CC=CC=C2)C3=O)C([O-])=O)CCN(CC1)C1=CC=CC=C1
InChIKey
InChIKey=IROPSZRAXNDASN-ZEQKJWHPSA-N
Formula
C27H30N4O5S
Mass
522.62
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-arylpiperazines Phenylpiperazines Aniline and substituted anilines Dialkylarylamines Phenol ethers Phenoxy compounds N-methylpiperazines Alkyl aryl ethers 1,3-thiazines Tertiary carboxylic acid amides Tetraalkylammonium salts Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-quaternary ammonium cephalosporin - N-acyl-alpha amino acid or derivatives - N-arylpiperazine - Phenylpiperazine - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - N-methylpiperazine - Alkyl aryl ether - Benzenoid - Piperazine - Meta-thiazine - 1,4-diazinane - Monocyclic benzene moiety - Quaternary ammonium salt - Tertiary carboxylic acid amide - Tetraalkylammonium salt - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Tertiary amine - Thioether - Hemithioaminal - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - 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