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Substance Name: Piperidinium, 1-(2-bromo-4,5-diethoxy)benzyl-1-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide
RN: 35690-13-2
InChIKey: GUPWKIBOCFKLBR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H47-Br-N-O3.Br

Molecular Weight

  • 617.502
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 35690-13-2

System Generated Number

  • 0035690132

Molecular Formulas

Molecular Formula

  • C29-H47-Br-N-O3.Br

Molecular Formula Fragments

  • Br
  • C29-H47-Br-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C29H47BrNO3.BrH/c1-5-33-27-18-23(26(30)20-28(27)34-6-2)21-31(13-8-7-9-14-31)15-17-32-16-12-22-10-11-24-19-25(22)29(24,3)4;/h18,20,22,24-25H,5-17,19,21H2,1-4H3;1H/q+1;/p-1

InChIKey

GUPWKIBOCFKLBR-UHFFFAOYSA-M

Smiles

C1([C@@H]2[C@@H](CCOCC[N+]3(Cc4c(cc(c(c4)OCC)OCC)Br)CCCCC3)CC[C@@H]1C2)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 34mg/kg (34mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 182, 1974.