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Substance Name: Dotefonium bromide [INN]
RN: 26058-50-4
UNII: D762286A5N
InChIKey: UAZAHFDNEPPZHN-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C20-H27-Br-N2-O2-S
  • C20-H27-N2-O2-S.Br

Molecular Weight

  • 439.415
 
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Names and Synonyms

Name of Substance

  • Dotefonium bromide [INN]

Synonyms

  • 1-Methyl-1-(2-(N-methyl-alpha-2-thienylmandelamido)ethyl)pyrrolidinium bromide
  • Bromure de dotefonium
  • Bromure de dotefonium [INN-French]
  • Bromuro de dotefonio
  • Bromuro de dotefonio [INN-Spanish]
  • Dotefonii bromidum
  • Dotefonii bromidum [INN-Latin]
  • Dotefonium bromide
  • H 4132
  • Pyrrolidinium, 1-(2-((hydroxyphenyl-2-thienylacetyl)methylamino)ethyl)-1-methyl-, bromide
  • Pyrrolidinium, 1-methyl-1-(2-(N-methyl-alpha-2-thienylmandelamido)ethyl)-, bromide
  • UNII-D762286A5N

Systematic Names

  • 1-Methyl-1-(2-(N-methyl-alpha-2-thienylmandelamido)ethyl)pyrrolidinium bromide
  • Pyrrolidinium, 1-(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)-1-methyl-, bromide

Registry Numbers

CAS Registry Number

  • 26058-50-4

FDA UNII

  • D762286A5N

System Generated Number

  • 0026058504

Molecular Formulas

Molecular Formulas

  • C20-H27-Br-N2-O2-S
  • C20-H27-N2-O2-S.Br

Molecular Formula Fragments

  • Br
  • C20-H27-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27N2O2S.BrH/c1-21(12-15-22(2)13-6-7-14-22)19(23)20(24,18-11-8-16-25-18)17-9-4-3-5-10-17;/h3-5,8-11,16,24H,6-7,12-15H2,1-2H3;1H/q+1;/p-1

InChIKey

UAZAHFDNEPPZHN-UHFFFAOYSA-M

Smiles

c1(sccc1)[C@@](C(N(CC[N+]1(CCCC1)C)C)=O)(O)c1ccccc1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 185mg/kg (185mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 14, 1972.
mouse LD50 intravenous 30mg/kg (30mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 14, 1972.
mouse LD50 subcutaneous 300mg/kg (300mg/kg)   French Medicament Patent Document. Vol. #7291M,