Compound Identification
SMILES
CCOC(=O)C1=CCCCC1S(=O)(=O)NC1=C(Cl)C=C(F)C=C1.CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3=CC=CC=C3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1)C(O)=O
InChIKey
InChIKey=LPHNCRBVZUFBDI-ROMZVAKDSA-N
Formula
C37H39ClFN7O11S3
Mass
908.39
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
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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 Sulfanilides Fluorobenzenes 2,4-disubstituted thiazoles Chlorobenzenes 1,3-thiazines Dicarboxylic acids and derivatives Pyridinium derivatives Organic sulfonamides 2-amino-1,3-thiazoles Organosulfonamides Aryl chlorides Aryl fluorides Enoate esters Aminosulfonyl compounds Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carbonyl compounds Primary amines Organic zwitterions Organochlorides Organofluorides Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Sulfanilide - Halobenzene - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Chlorobenzene - Meta-thiazine - Dicarboxylic acid or derivatives - Aryl chloride - Pyridine - Pyridinium - 1,3-thiazol-2-amine - Organic sulfonic acid amide - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - Heteroaromatic compound - Organosulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Organic sulfonic acid or derivatives - Enoate ester - Sulfonyl - Tertiary carboxylic acid amide - Thiazole - Aminosulfonyl compound - Azole - Carboxamide group - Azetidine - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Organosulfur compound - Hydrocarbon derivative - Primary amine - Carbonyl group - Amine - Organic oxide - Organic zwitterion - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - 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