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Substance Name: Buspirone [INN:BAN]
RN: 36505-84-7
UNII: TK65WKS8HL
InChIKey: QWCRAEMEVRGPNT-UHFFFAOYSA-N

Note

  • An anxiolytic agent and serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the BENZODIAZAPINES, but it has an efficacy comparable to DIAZEPAM.

Molecular Formula

  • C21-H31-N5-O2

Molecular Weight

  • 385.5089
 

Classification Codes

  • Anti-Anxiety Agents
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Human Data
  • Neurotransmitter Agents
  • Psychotropic Drugs
  • Serotonin Agents
  • Serotonin Receptor Agonists
  • Tranquilizing Agents

Names and Synonyms

Name of Substance

  • Buspirone
  • Buspirone [INN:BAN]

MeSH Heading

  • Buspirone

Synonyms

  • 5-25-10-00059 (Beilstein Handbook Reference)
  • 8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione
  • Ansial
  • BRN 0964904
  • Buspirona
  • Buspirona [INN-Spanish]
  • Buspirone
  • Buspironum
  • Buspironum [INN-Latin]
  • EINECS 253-072-2
  • UNII-TK65WKS8HL

Systematic Names

  • 8-Azaspiro(4,5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)piperizinyl)butyl)-
  • 8-Azaspiro(4.5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
  • Buspirone

Registry Numbers

CAS Registry Number

  • 36505-84-7

FDA UNII

  • TK65WKS8HL

System Generated Number

  • 0036505847

Structure Descriptors

InChI

1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2

InChIKey

QWCRAEMEVRGPNT-UHFFFAOYSA-N

Smiles

c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo unreported 399mg/kg/19D- (399mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Drugs of the Future. Vol. 1, Pg. 409, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.63 (none)   EXP
Water Solubility 21.4 mg/L 25 EST
Vapor Pressure 8.17E-13 mm Hg 25 EST
Henry's Law Constant 1.54E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.65E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.