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Substance Name: Ammonium, diethyl(6-hydroxyhexyl)methyl-, bromide, p-anisate
RN: 27591-09-9
InChIKey: FPQRNUYBOBKEJT-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H32-N-O3.Br

Molecular Weight

  • 402.37
 
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Names and Synonyms

Synonyms

  • 1-Hexanaminium, N,N-diethyl-6-((4-methoxybenzoyl)oxy)-N-methyl-, bromide
  • Diethyl(6-hydroxyhexyl)methylammonium bromide p-anisate

Systematic Name

  • Ammonium, diethyl(6-hydroxyhexyl)methyl-, bromide, p-anisate

Registry Numbers

CAS Registry Number

  • 27591-09-9

System Generated Number

  • 0027591099

Molecular Formulas

Molecular Formula

  • C19-H32-N-O3.Br

Molecular Formula Fragments

  • Br
  • C19-H32-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C19H32NO3.BrH/c1-5-20(3,6-2)15-9-7-8-10-16-23-19(21)17-11-13-18(22-4)14-12-17;/h11-14H,5-10,15-16H2,1-4H3;1H/q+1;/p-1

InChIKey

FPQRNUYBOBKEJT-UHFFFAOYSA-M

Smiles

C(CCCCCOC(c1ccc(cc1)OC)=O)[N+](C)(CC)CC.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 22mg/kg (22mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 90, Pg. 1048, 1970.