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Substance Name: Bufeniode [INN:DCF]
RN: 22103-14-6
UNII: JC82071PQS
InChIKey: RFIXURDMUINBMD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-I2-N-O2

Molecular Weight

  • 551.196
 
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Names and Synonyms

Name of Substance

  • Bufeniode
  • Bufeniode [INN:DCF]

Synonyms

  • 1-(4-Hydroxy-3,5-diiodophenyl)-2-(1-methyl-3-phenylpropylamino)propanol
  • 3,5-Diiodo-4-hydroxy-alpha-(1-((1-methyl-3-phenylpropyl)amino)ethyl)benzenemethanol
  • 4-Hydroxy-3,5-diiodo-alpha-(1((1-methyl-3-phenylpropyl)amino)ethyl) benzyl alcohol
  • BRN 2764895
  • Bufeniod
  • Bufeniode
  • Bufeniodo
  • Bufeniodo [INN-Spanish]
  • Bufeniodum
  • Bufeniodum [INN-Latin]
  • Diastal
  • Diiodobuphenine
  • EINECS 244-781-8
  • HF 241
  • Proclival
  • UNII-JC82071PQS

Systematic Names

  • 1-(4-Hydroxy-3,5-diiodophenyl)-2-(1-methyl-3-phenylpropylamino)propanol
  • 4-Hydroxy-3,5-diiodo-alpha-(1((1-methyl-3-phenylpropyl)amino)ethyl) benzyl alcohol
  • Benzenemethanol, 3,5-diiodo-4-hydroxy-alpha-(1-((1-methyl-3-phenylpropyl)amino)ethyl)-
  • Benzyl alcohol, 4-hydroxy-3,5-diiodo-alpha-(1-((1-methyl-3-phenylpropyl)amino)ethyl)- (8CI)
  • Bufeniode

Registry Numbers

CAS Registry Number

  • 22103-14-6

FDA UNII

  • JC82071PQS

System Generated Number

  • 0022103146

Structure Descriptors

InChI

1S/C19H23I2NO2/c1-12(8-9-14-6-4-3-5-7-14)22-13(2)18(23)15-10-16(20)19(24)17(21)11-15/h3-7,10-13,18,22-24H,8-9H2,1-2H3

InChIKey

RFIXURDMUINBMD-UHFFFAOYSA-N

Smiles

N([C@@H](CCc1ccccc1)C)[C@@H]([C@@H](c1cc(I)c(O)c(I)c1)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   United States Patent Document. Vol. #3542870,
mouse LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #3542870,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 212 deg C   EXP
log P (octanol-water) 5.640 (none)   EST
Atmospheric OH Rate Constant 1.25E-10 cm3/molecule-sec 25 EST

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