Compound Identification
SMILES
C[C@]1(CN2C=CN=N2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O.CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=BKDQICGFEQQQCS-ADZBNYFASA-N
Formula
C29H36N10O10S3
Mass
780.85
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 Penams 2,4-disubstituted thiazoles N-alkylpyrrolidines 2-amino-1,3-thiazoles 1,3-thiazines Heteroaromatic compounds Triazoles Thiazolidines Tetraalkylammonium salts Tertiary carboxylic acid amides Sulfones Carboxylic acid salts Amino acids Azetidines Secondary carboxylic acid amides Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Not available
Substituents
3'-quaternary ammonium cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Penam - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - N-alkylpyrrolidine - 1,3-thiazol-2-amine - Sulfone - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Quaternary ammonium salt - 1,2,3-triazole - Pyrrolidine - Tetraalkylammonium salt - Thiazolidine - Carboxylic acid salt - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organic zwitterion - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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