Compound Identification
SMILES
[Na+].CCOP(=O)(OCC)C1=C(N2C(CC1)C(NC(=O)COC1=CC=CC=C1)C2=O)C([O-])=O
InChIKey
InChIKey=MXCSRJWKYZMRES-UHFFFAOYSA-M
Formula
C20H24N2NaO8P
Mass
474.382
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
- Level 5 Carbacephems
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Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Not available
Direct Parent
Carbacephems
Alternative Parents
N-acyl-alpha amino acids and derivatives Phenoxy compounds Phenol ethers Tetrahydropyridines Phosphonic acid diesters Alkyl aryl ethers Phosphonic acid esters Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Carboxylic acid salts Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organophosphorus compounds Organic sodium salts Carbonyl compounds Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Tetrahydropyridine - Phosphonic acid diester - Benzenoid - Phosphonic acid ester - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Organophosphonic acid derivative - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Azetidine - Carboxylic acid derivative - Carboxylic acid - Ether - Organic alkali metal salt - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Organic salt - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as carbacephems. These are a new class of beta-lactam antibiotics similar in structure to the cephalosporins. They differ from cephalosporins, however, in the substitution of a sulfur atom in the dihydrothiazine ring with a methylene group to form a tetrahydropyridine ring.
External Descriptors
Not available