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Substance Name: Bufuralol [INN:BAN]
RN: 54340-62-4
UNII: 891H89GFT4
InChIKey: SSEBTPPFLLCUMN-UHFFFAOYSA-N

Classification Codes

  • Adrenergic Agents
  • Adrenergic Antagonists
  • Adrenergic beta-Antagonists
  • Neurotransmitter Agents

Molecular Formula

  • C16-H23-N-O2

Molecular Weight

  • 261.363
 
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Names and Synonyms

Name of Substance

  • Bufuralol
  • Bufuralol [INN:BAN]

Synonyms

  • (RS)-alpha-(tert-Butylamino)methyl)-7-ethyl-12-benzofuranmethanol
  • alpha-((tert-Butylamino)methyl)-7-ethyl-2-benzofuranmethanol
  • Bufuralol
  • Bufuralolum
  • Bufuralolum [INN-Latin]
  • EINECS 259-112-5
  • Ro 3-4787
  • UNII-891H89GFT4

Systematic Names

  • 1-(7-Ethylbenzofuran-2-yl)-2-tert-butylamino-1-hydroxyethane
  • alpha-((tert-Butylamino)methyl)-7-ethyl-2-benzofuranmethanol
  • Bufuralol

Registry Numbers

CAS Registry Number

  • 54340-62-4

FDA UNII

  • 891H89GFT4

Related Registry Number

  • 59652-29-8 (hydrochloride)

System Generated Number

  • 0054340624

Structure Descriptors

InChI

1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3

InChIKey

SSEBTPPFLLCUMN-UHFFFAOYSA-N

Smiles

c12oc([C@@H](CNC(C)(C)C)O)cc1cccc2CC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.5 (none)   EXP
Water Solubility 214 mg/L 25 EST
Vapor Pressure 9.96E-08 mm Hg 25 EST
Henry's Law Constant 2.18E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.93E-10 cm3/molecule-sec 25 EST

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