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Substance Name: Befunolol [INN]
RN: 39552-01-7
UNII: 418546MT3A
InChIKey: ZPQPDBIHYCBNIG-UHFFFAOYSA-N

Classification Codes

  • Adrenergic Agents
  • Adrenergic Agonists
  • Adrenergic Antagonists
  • Adrenergic beta-Agonists
  • Adrenergic beta-Antagonists
  • Drug / Therapeutic Agent
  • Neurotransmitter Agents

Molecular Formula

  • C16-H21-N-O4

Molecular Weight

  • 291.345
 
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Names and Synonyms

Name of Substance

  • Befunolol
  • Befunolol [INN]

Synonyms

  • 1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone
  • 2-Acetyl-7-(2-hyroxy-3-isopropylaminopropoxy)benzofuran
  • 7-(2-Hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl ketone
  • Befunolol
  • Befunololum
  • Befunololum [INN-Latin]
  • BRN 3620832
  • UNII-418546MT3A

Systematic Names

  • 1-(7-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)ethanone hydrochloride
  • 7-(2-Hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl ketone
  • Ethanone, 1-(7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)-
  • Ketone, 7-(2-hydroxy-3-(isopropylamino)propoxy)-2-benzofuranyl methyl

Registry Numbers

CAS Registry Number

  • 39552-01-7

FDA UNII

  • 418546MT3A

Related Registry Number

  • 39543-79-8 (hydrochloride)

System Generated Number

  • 0039552017

Structure Descriptors

InChI

InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3

InChIKey

ZPQPDBIHYCBNIG-UHFFFAOYSA-N

Smiles

CC(C)NCC(O)COc1cccc2cc(oc12)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2223184,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 115 deg C   EXP
log P (octanol-water) 2.02 (none)   EXP
Water Solubility 2640 mg/L 25 EST
Vapor Pressure 3.83E-09 mm Hg 25 EST
Henry's Law Constant 1.45E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.81E-10 cm3/molecule-sec 25 EST

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