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Substance Name: Thonzonium bromide [USAN:USP]
RN: 553-08-2
UNII: JI2B19CR0R
InChIKey: WBWDWFZTSDZAIG-UHFFFAOYSA-M

Note

  • A surfactant with antifungal activity; also inhibits osteoclast formation.

Classification Code

  • Detergent

Molecular Formulas

  • C32-H55-Br-N4-O
  • C32-H55-N4-O.Br

Molecular Weight

  • 591.718
 
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Names and Synonyms

Name of Substance

  • Thonzonium bromide [USAN:USP]
  • Tonzonium bromide [INN]

Synonyms

  • 1-Hexadecanaminium, N-(2-(((4-methoxyphenyl)methyl)-2-pyrimidinylamino)ethyl)-N,N-dimethyl-, bromide
  • Bromure de tonzonium
  • Bromure de tonzonium [INN-French]
  • Bromuro de tonzonio
  • Bromuro de tonzonio [INN-Spanish]
  • EINECS 209-032-1
  • Hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethylammonium bromide
  • NC 1264
  • NSC 5648
  • Thonzide
  • Thonzonium bromide
  • Tonzonii bromidum
  • Tonzonii bromidum [INN-Latin]
  • Tonzonium bromide
  • UNII-JI2B19CR0R

Systematic Names

  • 1-Hexadecanaminium, N-(2-(((4-methoxyphenyl)methyl)-2-pyrimidinylamino)ethyl)-N,N-dimethyl-, bromide
  • Ammonium, hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethyl-, bromide (8CI)
  • Tonzonium bromide

Mixture Names

  • Coly-Mycin S Otic
  • Nebair

Registry Numbers

CAS Registry Number

  • 553-08-2

FDA UNII

  • JI2B19CR0R

System Generated Number

  • 0000553082

Molecular Formulas

Molecular Formulas

  • C32-H55-Br-N4-O
  • C32-H55-N4-O.Br

Molecular Formula Fragments

  • Br
  • C32-H55-N4-O
  • COMPONENT

Structure Descriptors

InChI

1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1

InChIKey

WBWDWFZTSDZAIG-UHFFFAOYSA-M

Smiles

N(c1ncccn1)(Cc1ccc(OC)cc1)CC[N+](CCCCCCCCCCCCCCCC)(C)C.[BrH-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 91.5 deg C   EXP
log P (octanol-water) 6.860 (none)   EST
Atmospheric OH Rate Constant 9.47E-11 cm3/molecule-sec 25 EST

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