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Substance Name: Sodium dibunate [INN:BAN]
RN: 14992-59-7
UNII: FRS4SO3K8D
InChIKey: XYEXKDCAGSHWSD-UHFFFAOYSA-M

Classification Code

  • Antitussive

Molecular Formula

  • C18-H24-O3-S.Na

Molecular Weight

  • 342.433
 
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Names and Synonyms

Name of Substance

  • Sodium dibunate [INN:BAN]

Synonyms

  • Becantex
  • Bechisan
  • Bekantil
  • Dibunate de sodium
  • Dibunate de sodium [French]
  • Dibunato di sodio
  • Dibunato di sodio [DCIT]
  • Dibunato sodico
  • Dibunato sodico [Spanish]
  • EINECS 239-079-3
  • Ethylis dibunas
  • Ethylis dibunas [Latin]
  • L 1633
  • L-1633
  • Natrii dibunas
  • Natrii dibunas [Latin]
  • Natrium 2,6-di-tert-butyl-1(3)-naphthalinsulfonat
  • Sodium dibunate
  • UNII-FRS4SO3K8D

Systematic Names

  • Sodium 2,6-di-tert-butyl-1(or 3)-naphthalenesulfonate
  • Sodium dibunate

Registry Numbers

CAS Registry Number

  • 14992-59-7

FDA UNII

  • FRS4SO3K8D

System Generated Number

  • 0014992597

Molecular Formulas

Molecular Formula

  • C18-H24-O3-S.Na

Molecular Formula Fragments

  • C18-H24-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H24O3S.Na/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21;/h7-11H,1-6H3,(H,19,20,21);/q;+1/p-1

InChIKey

XYEXKDCAGSHWSD-UHFFFAOYSA-M

Smiles

S(c1c(ccc2c1ccc(C(C)(C)C)c2)C(C)(C)C)([O-])(=O)=O.[Na+]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.040 (none)   EST
Water Solubility 7.50E+05 mg/L   EXP
Atmospheric OH Rate Constant 1.32E-11 cm3/molecule-sec 25 EST

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