Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperidinium, 4-hydroxy-1-methyl-1-phenethyl-, bromide, 3,4,5-trimethoxybenzoate
RN: 73771-92-3
InChIKey: KWHHAEJTURXRDV-UHFFFAOYSA-M

Molecular Formula

  • C24-H32-N-O5.Br

Molecular Weight

  • 494.4228
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

  • Piperidinium, 4-hydroxy-1-methyl-1-phenethyl-, bromide, 3,4,5-trimethoxybenzoate

Registry Numbers

CAS Registry Number

  • 73771-92-3

System Generated Number

  • 0073771923

Molecular Formulas

Molecular Formula

  • C24-H32-N-O5.Br

Molecular Formula Fragments

  • Br
  • C24-H32-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C24H32NO5.BrH/c1-25(13-10-18-8-6-5-7-9-18)14-11-20(12-15-25)30-24(26)19-16-21(27-2)23(29-4)22(17-19)28-3;/h5-9,16-17,20H,10-15H2,1-4H3;1H/q+1;/p-1

InChIKey

KWHHAEJTURXRDV-UHFFFAOYSA-M

Smiles

C[N+]1(CCC(CC1)OC(=O)c2cc(c(c(c2)OC)OC)OC)CCc3ccccc3.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 319, 1964.