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Substance Name: Piperidinium, 1,1-dimethyl-4-hydroxy-, bromide, 3,4,5-trimethoxybenzoate
RN: 73771-89-8
InChIKey: URDIWLSVYRUCLK-UHFFFAOYSA-M

Molecular Formula

  • C17-H26-N-O5.Br

Molecular Weight

  • 404.2984
 
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Names and Synonyms

Synonym

  • Piperidinium 1,1-dimethyl-4-(3,4,5-trimethoxybenzoyloxy)-, bromide

Systematic Name

  • Piperidinium, 1,1-dimethyl-4-hydroxy-, bromide, 3,4,5-trimethoxybenzoate

Registry Numbers

CAS Registry Number

  • 73771-89-8

System Generated Number

  • 0073771898

Molecular Formulas

Molecular Formula

  • C17-H26-N-O5.Br

Molecular Formula Fragments

  • Br
  • C17-H26-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26NO5.BrH/c1-18(2)8-6-13(7-9-18)23-17(19)12-10-14(20-3)16(22-5)15(11-12)21-4;/h10-11,13H,6-9H2,1-5H3;1H/q+1;/p-1

InChIKey

URDIWLSVYRUCLK-UHFFFAOYSA-M

Smiles

C[N+]1(CCC(CC1)OC(=O)c2cc(c(c(c2)OC)OC)OC)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 319, 1964.