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Substance Name: Phenobutiodil [INN:BAN]
RN: 554-24-5
UNII: 67F5J7GUUR
InChIKey: VYAGDYWTCWDKIS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-I3-O3

Molecular Weight

  • 557.8781
 
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Names and Synonyms

Name of Substance

  • Phenobutiodil
  • Phenobutiodil [INN:BAN]

Synonyms

  • 2-(2,4,6-Triiodophenoxy)butyric acid
  • 4-06-00-01086 (Beilstein Handbook Reference)
  • 4114 TH
  • Baygnostil
  • Biliodyl
  • BRN 2283687
  • Butanoic acid, 2-(2,4,6-triiodophenoxy)-
  • Cholognost
  • EINECS 209-065-1
  • Felotrast
  • Fenobutiodilo
  • Fenobutiodilo [INN-Spanish]
  • Phenobutijodilum
  • Phenobutiodil
  • Phenobutiodilum
  • Phenobutiodilum [INN-Latin]
  • Trijobil
  • UNII-67F5J7GUUR
  • Vesipaque

Systematic Names

  • 2-(2,4,6-Triiodophenoxy)butyric acid
  • Butyric acid, 2-(2,4,6-triiodophenoxy)-
  • Phenobutiodil

Registry Numbers

CAS Registry Number

  • 554-24-5

FDA UNII

  • 67F5J7GUUR

System Generated Number

  • 0000554245

Structure Descriptors

InChI

1S/C10H9I3O3/c1-2-8(10(14)15)16-9-6(12)3-5(11)4-7(9)13/h3-4,8H,2H2,1H3,(H,14,15)

InChIKey

VYAGDYWTCWDKIS-UHFFFAOYSA-N

Smiles

CCC(C(=O)O)Oc1c(cc(cc1I)I)I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 200mg/kg (200mg/kg)   Pharmazie. Vol. 18, Pg. 642, 1963.
mouse LD50 oral 1800mg/kg (1800mg/kg)   Pharmazie. Vol. 27, Pg. 411, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 124.5 deg C   EXP
log P (octanol-water) 5.740 (none)   EST
Atmospheric OH Rate Constant 1.32E-11 cm3/molecule-sec 25 EST

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