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Substance Name: Bunitrolol [INN]
RN: 34915-68-9
UNII: F2613LO055
InChIKey: VCVQSRCYSKKPBA-UHFFFAOYSA-N

Note

  • A beta-adrenergic receptor antagonist with weak antiarrhythmic activity and minor ability to decrease the heart rate.

Molecular Formula

  • C14-H20-N2-O2

Molecular Weight

  • 248.324
 

Classification Code

  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • Bunitrolol
  • Bunitrolol [INN]

Synonyms

  • (RS)-2-(3-(tert-Butylamino)-2-hydroxypropoxy)benzonitril
  • 2-Nitrilo-N-tert-butylphenoxypropanolamine
  • 2-Propanol, 3-(tert-butylamino)-1-(m-cyanophenoxy)-
  • BRN 2374567
  • Bunitrolol
  • Bunitrololum
  • Bunitrololum [INN-Latin]
  • KO 1366
  • o-(3-(tert-Butylamino)-2-hydroxypropoxy)benzonitrile
  • UNII-F2613LO055

Systematic Names

  • Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)- (9CI)
  • Benzonitrile, o-(3-(tert-butylamino)-2-hydroxypropoxy)-
  • o-(3-(tert-Butylamino)-2-hydroxypropoxy)benzonitrile

Registry Numbers

CAS Registry Number

  • 34915-68-9

FDA UNII

  • F2613LO055

System Generated Number

  • 0034915689

Structure Descriptors

InChI

1S/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3

InChIKey

VCVQSRCYSKKPBA-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C#N)OC[C@@H](CNC(C)(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 46mg/kg (46mg/kg)   European Journal of Pharmacology. Vol. 17, Pg. 341, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 163-165 deg C   EXP
log P (octanol-water) 1.6 (none)   EXP
Water Solubility 5750 mg/L 25 EST
Vapor Pressure 1.39E-07 mm Hg 25 EST
Henry's Law Constant 1.05E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.54E-11 cm3/molecule-sec 25 EST

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