CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
---|---|
Melting Point | 201.5-202.5 |
Solubility | 5.88e-01 g/L |
LogP | 2.63 |
Ionization Efficiency | Positive |
Dissociation Constants | 7.6 |
Collision Cross Section | 199.3 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
Kovats Retention Index | 3258.5 3258.2 |
COMPUTED DESCRIPTORS
Molecular Weight | 385.5 g/mol |
---|---|
XLogP3 | 2.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 6 |
Exact Mass | 385.24777525 g/mol |
Monoisotopic Mass | 385.24777525 g/mol |
Topological Polar Surface Area | 69.6 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 529 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Buspirone is an azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position. It has a role as an anxiolytic drug, a sedative, a serotonergic agonist and an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor. It is an azaspiro compound, a member of pyrimidines, a N-arylpiperazine, a N-alkylpiperazine, a member of piperidones and an organic heteropolycyclic compound. It is a conjugate base of a buspirone(1+).