Metrenperone

Base Information

• Chemical Name: Metrenperone
• CAS No.: 81043-56-3
• Molecular Formula: C24H26FN3O2
• Molecular Weight: 407.4805
• European Community (EC) Number: 279-678-7
• UNII: W1O4FV809G
• DSSTox Substance ID: DTXSID20230867
• Nikkaji Number: J33.110D
• Wikidata: Q27292195
• NCI Thesaurus Code: C80774
• Metabolomics Workbench ID: 155753
• ChEMBL ID: CHEMBL2104852
• Mol file: 81043-56-3.mol

Synonyms:3-(2-(4-(fluorobenzoyl)-1-piperidinyl)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one;metrenperone;R 50970;R-50970

Chemical Property of Metrenperone

Chemical Property:

• Vapor Pressure: 1.23E-12mmHg at 25°C
• Boiling Point: 561.5°Cat760mmHg
• Flash Point: 293.4°C
• PSA: 54.68000
• Density: 1.24g/cm³
• LogP: 3.52570
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 407.20090524
• Heavy Atom Count: 30
• Complexity: 825

Purity/Quality:

99% ^*data from raw suppliers

Metrenperone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN2C(=NC(=C(C2=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C)C=C1
• Uses: A selective type 2 serotonergic (5-HT2) antagonist. Metrenperone is administered to treat respiratory distress syndrome in cattle.