Compound Identification
SMILES
[Na+].[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NC(C)=C(CC(O)=O)S3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=WBOBLQIRACJNPA-AEKYOGSZSA-N
Formula
C20H20N6Na2O7S4
Mass
630.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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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
Cephems
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives 2,4,5-trisubstituted thiazoles 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Organic alkali metal salts Carbonyl compounds Organic oxides Primary amines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4,5-trisubstituted 1,3-thiazole - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - 1,3-thiazol-2-amine - Dicarboxylic acid or derivatives - Azole - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azetidine - Thioether - Hemithioaminal - Sulfenyl compound - Carboxylic acid derivative - Dialkylthioether - Organic alkali metal salt - Azacycle - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic cation - 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