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Substance Name: Bunamiodyl sodium
RN: 1923-76-8
UNII: NTI7T2IEIE
InChIKey: JNUQEHHAXSHUMD-WVLIHFOGSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C15-H15-I3-N-Na-O3
  • C15-H15-I3-N-O3.Na

Molecular Weight

  • 660.977
 
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Names and Synonyms

Name of Substance

  • Bunamiodyl sodium

Synonyms

  • 2-(3-Butyramido-2,4,6-triiodophenylmethylene)butyric acid soidum salt
  • 3-(3-Butyrylamino-2,4,6-triiodophenyl)-2-ethylacrylic acid sodium salt
  • 3-(Butyrylamino)-alpha-ethyl-2,4,6-triiodocinnamic acid sodium salt
  • 3-Butyramido-alpha-ethyl-2,4,6-triiodocinnamic acid sodium salt
  • alpha-(2,4,6-Triiodo-3-butyrylaminobenzylidene)butyric acid sodium salt
  • alpha-Aethyl-beta-(2,4,6-trijod-3-(n)-butyrylaminophenyl)acrylsaeure natrium salz
  • alpha-Aethyl-beta-(2,4,6-trijod-3-(n)-butyrylaminophenyl)acrylsaeure natrium salz [German]
  • alpha-Ethyl-beta-(2,4,6-triiodo-3-butyramidophenyl)acrylic acid sodium salt
  • Bili-oral
  • Bunaiod
  • Bunamiodyl sodium
  • Butanoic acid, 2-((2,4,6-triiodo-3-((1-oxobutyl)amino)phenyl)methylene)-, monosodium salt
  • Orabilix
  • Sodium 3-butyramido-alpha-ethyl-2,4,6-triiodocinnamate
  • UNII-NTI7T2IEIE

Systematic Names

  • 2-(3-Butyramido-3,4,6-triiodophenylmethylene)butyric acid sodium salt
  • Cinnamic acid, 3-butyramido-alpha-ethyl-2,4,6-triiodo-, monosodium salt

Registry Numbers

CAS Registry Number

  • 1923-76-8

FDA UNII

  • NTI7T2IEIE

Related Registry Number

  • 1233-53-0 (Parent)

System Generated Number

  • 0001923768

Molecular Formulas

Molecular Formulas

  • C15-H15-I3-N-Na-O3
  • C15-H15-I3-N-O3.Na

Molecular Formula Fragments

  • C15-H15-I3-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C15H16I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h6-7H,3-5H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1/b8-6+;

InChIKey

JNUQEHHAXSHUMD-WVLIHFOGSA-M

Smiles

c1(c(c(c(I)cc1I)NC(CCC)=O)I)\C=C(\C([O-])=O)CC.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 418mg/kg (418mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.
mouse LD50 oral 2690mg/kg (2690mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.
rat LD50 intravenous 480mg/kg (480mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969.
rat LD50 oral 2800mg/kg (2800mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.760 (none)   EST
Atmospheric OH Rate Constant 3.65E-11 cm3/molecule-sec 25 EST

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