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Substance Name: Tyropanoate sodium [USAN:USP]
RN: 7246-21-1
UNII: XRJ0P5FAYO
InChIKey: KTVKGXZZBQCBGD-UHFFFAOYSA-M

Note

  • A diagnostic aid as a radiopaque medium in cholecystography.

Classification Codes

  • Diagnostic Aid (Radiopaque Medium, Cholecystographic)
  • Drug / Therapeutic Agent

Molecular Formulas

  • C15-H17-I3-N-Na-O3
  • C15-H17-I3-N-O3.Na
  • C15-H18-I3-N-O3.Na

Molecular Weight

  • 662.993
 
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Names and Synonyms

Name of Substance

  • Sodium tyropanoate [INN]
  • Tyropanoate sodium
  • Tyropanoate sodium [USAN:USP]

Synonyms

  • 2-(3-Butyramido-2,4,6-triiodbenzyl)buttersaeure, Natrium-Salz
  • 3-Butyramido-alpha-ethyl-2,4,6-triiodohydrocinnamic acid sodium salt
  • alpha-Ethyl-beta-(2,4,6-triiodo-3-butyramidophenyl)propionic acid sodium salt
  • Benzenepropanoic acid, alpha-ethyl-2,4,6-triiodo-3-((1-oxobutyl)amino)-, monosodium salt
  • Bilopac
  • Bilopaque
  • EINECS 230-653-9
  • Lumopaque
  • Natrii tyropanoas
  • Natrii tyropanoas [INN-Latin]
  • Natrium 2-(3-butyramido-2,4,6-triiodbenzyl)butyrat
  • Natrium tyropanoat
  • NSC-107434
  • Sodium 3-butyramido-alpha-ethyl-2,4,6-triiodohydrocinnamate
  • Sodium tyropanoate
  • Tiropanoato sodico
  • Tiropanoato sodico [INN-Spanish]
  • Tyropanoate de sodium
  • Tyropanoate de sodium [INN-French]
  • Tyropanoate sodium
  • Tyropanoic acid sodium salt
  • Tyropaque
  • UNII-XRJ0P5FAYO
  • WIN 8851-2

Systematic Names

  • Benzenepropanoic acid, alpha-ethyl-2,4,6-triiodo-3-((1-oxobutyl)amino)-, monosodium salt
  • Hydrocinnamic acid, 3-butyramido-alpha-ethyl-2,4,6-triiodo-, monosodium salt (8CI)
  • Hydrocinnamic acid, 3-butyramido-alpha-ethyl-2,4,6-triiodo-, sodium salt
  • Sodium tyropanoate

Registry Numbers

CAS Registry Number

  • 7246-21-1

FDA UNII

  • XRJ0P5FAYO

System Generated Number

  • 0007246211

Molecular Formulas

Molecular Formulas

  • C15-H17-I3-N-Na-O3
  • C15-H17-I3-N-O3.Na
  • C15-H18-I3-N-O3.Na

Molecular Formula Fragments

  • C15-H17-I3-N-O3
  • C15-H18-I3-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C15H18I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1

InChIKey

KTVKGXZZBQCBGD-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 720mg/kg (720mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.
mouse LD50 oral 4200mg/kg (4200mg/kg)   Drugs in Japan Vol. 6, Pg. 467, 1982.
mouse LD50 subcutaneous 2300mg/kg (2300mg/kg)   Drugs in Japan Vol. 6, Pg. 467, 1982.
rat LD50 intravenous 860mg/kg (860mg/kg)   Drugs in Japan Vol. 6, Pg. 467, 1982.
rat LD50 oral 6500mg/kg (6500mg/kg)   Drugs in Japan Vol. 6, Pg. 467, 1982.
rat LD50 subcutaneous 2850mg/kg (2850mg/kg)   Drugs in Japan Vol. 6, Pg. 467, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 209 deg C   EXP
log P (octanol-water) 1.850 (none)   EST
Atmospheric OH Rate Constant 8.40E-12 cm3/molecule-sec 25 EST

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