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36505-84-7

36505-84-7 structural image
Product Name: Buspirone
Formula: C21H31N5O2
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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+).

RELATED SUPPLIERS

Unichem Laboratories Ltd

1Y
product:36505-84-7 Buspirone 98%

Solara Active Pharma Sciences Ltd

1Y
product:36505-84-7 98%
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