Compound Identification
SMILES
[Na+].CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CC#N)C2=O)C([O-])=O
InChIKey
InChIKey=GXCRUTWHNMMJEK-UHFFFAOYSA-M
Formula
C13H12N3NaO6S
Mass
361.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
-
Level 6
Cephalosporins
- Level 7 Cephalosporin 3'-esters
-
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
Cephalosporin 3'-esters
Alternative Parents
N-acyl-alpha amino acids and derivatives Dicarboxylic acids and derivatives 1,3-thiazines Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid salts Carboxylic acid esters Azetidines Thiohemiaminal derivatives Nitriles Dialkylthioethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Meta-thiazine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxylic acid ester - Carboxamide group - Azetidine - Azacycle - Organic alkali metal salt - Dialkylthioether - Hemithioaminal - Thioether - Nitrile - Carbonitrile - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.
External Descriptors
Not available