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Substance Name: Piperidinium, 1-(2-bromo-4,5-dimethoxy)benzyl-1-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide
RN: 35690-12-1
InChIKey: AQJLRRRVSDFMAQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H43-Br-N-O3.Br

Molecular Weight

  • 589.449
 
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Names and Synonyms

  • Piperidinium, 1-(2-bromo-4,5-dimethoxy)benzyl-1-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 35690-12-1

System Generated Number

  • 0035690121

Molecular Formulas

Molecular Formula

  • C27-H43-Br-N-O3.Br

Molecular Formula Fragments

  • Br
  • C27-H43-Br-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C27H43BrNO3.BrH/c1-27(2)22-9-8-20(23(27)17-22)10-14-32-15-13-29(11-6-5-7-12-29)19-21-16-25(30-3)26(31-4)18-24(21)28;/h16,18,20,22-23H,5-15,17,19H2,1-4H3;1H/q+1;/p-1

InChIKey

AQJLRRRVSDFMAQ-UHFFFAOYSA-M

Smiles

c1(C[N+]2(CCCCC2)CCOCC[C@@H]2CC[C@@H]3C([C@@H]2C3)(C)C)c(Br)cc(OC)c(c1)OC.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 103mg/kg (103mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 182, 1974.