Compound Identification
SMILES
[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(\C=C/C3=CC(=NO3)C(=O)N(C)C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=VMRWOCUWVHWHSE-UMKNDMDCSA-M
Formula
C21H20N7NaO7S2
Mass
569.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives 2-heteroaryl carboxamides 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Azetidines Secondary carboxylic acid amides Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Oxacyclic compounds Azacyclic compounds Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Thiazole - Tertiary carboxylic acid amide - Isoxazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Oxacycle - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Hydrocarbon derivative - Organic sodium salt - Amine - Organic oxide - Organic salt - Organic nitrogen compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available