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Substance Name: Penbutolol [INN:BAN]
RN: 38363-40-5
UNII: 78W62V43DY
InChIKey: KQXKVJAGOJTNJS-HNNXBMFYSA-N

Note

  • A nonselective beta-blocker used as an antihypertensive and an antianginal agent.

Molecular Formula

  • C18-H29-N-O2

Molecular Weight

  • 291.432
 

Classification Codes

  • Adrenergic Agents
  • Adrenergic Antagonists
  • Adrenergic beta-Antagonists
  • Antihypertensive Agents
  • Cardiovascular Agents
  • Mutation Data
  • Neurotransmitter Agents

Names and Synonyms

Name of Substance

  • Penbutolol [INN:BAN]

MeSH Heading

  • Penbutolol

Synonyms

  • Betapressin
  • BRN 4484348
  • CCRIS 2855
  • HOE 893
  • HOE 893D
  • l-Penbutolol
  • Levopenbutol
  • Penbutolol
  • Penbutololum
  • Penbutololum [INN-Latin]
  • S(-)-Penbutolol
  • UNII-78W62V43DY

Systematic Names

  • (-)-Penbutolol
  • 2-Propanol, 1-(2-cyclopentylphenoxy)-3-((1,1-dimethylethyl)amino)-, (S)-

Registry Numbers

CAS Registry Number

  • 38363-40-5

FDA UNII

  • 78W62V43DY

System Generated Number

  • 0038363405

Structure Descriptors

InChI

1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1

InChIKey

KQXKVJAGOJTNJS-HNNXBMFYSA-N

Smiles

C([C@H](CNC(C)(C)C)O)Oc1ccccc1C1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 20mg/kg (20mg/kg)   Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 22, Pg. 1, 1981.
mouse LD50 intravenous 18mg/kg (18mg/kg)   Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 22, Pg. 1, 1981.
mouse LD50 oral 1230mg/kg (1230mg/kg)   Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 22, Pg. 1, 1981.
rabbit LD50 intravenous 17mg/kg (17mg/kg)   Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 22, Pg. 1, 1981.
rabbit LD50 oral 300mg/kg (300mg/kg)   Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 22, Pg. 1, 1981.
rat LD50 intravenous 22mg/kg (22mg/kg)   Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 22, Pg. 1, 1981.
rat LD50 oral 1265mg/kg (1265mg/kg)   Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 22, Pg. 1, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 68-72 deg C   EXP
log P (octanol-water) 4.15 (none)   EXP
Water Solubility 7000 mg/L   EXP
Vapor Pressure 4.46E-08 mm Hg 25 EST
Henry's Law Constant 1.64E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.23E-10 cm3/molecule-sec 25 EST

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