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Substance Name: 4-Piperidinol, 1-phenethyl-, 3,4,5-trimethoxybenzoate, hydrochloride
RN: 3684-25-1
InChIKey: VVGKQRFDRAPBDF-UHFFFAOYSA-N

Molecular Formula

  • C23-H30-N-O5.Cl-H

Molecular Weight

  • 435.945
 
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Names and Synonyms

Synonyms

  • 1-Phenethyl-4-piperidyl 3,4,5-trimethoxybenzoate hydrochloride
  • Benzoic acid, 3,4,5-trimethoxy-, 1-phenethyl-4-piperidinyl ester, hydrochloride

Systematic Name

  • 4-Piperidinol, 1-phenethyl-, 3,4,5-trimethoxybenzoate, hydrochloride

Registry Numbers

CAS Registry Number

  • 3684-25-1

System Generated Number

  • 0003684251

Molecular Formulas

Molecular Formula

  • C23-H30-N-O5.Cl-H

Molecular Formula Fragments

  • C23-H30-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO5.ClH/c1-26-20-15-18(16-21(27-2)22(20)28-3)23(25)29-19-10-13-24(14-11-19)12-9-17-7-5-4-6-8-17;/h4-8,15-16,19H,9-14H2,1-3H3;1H

InChIKey

VVGKQRFDRAPBDF-UHFFFAOYSA-N

Smiles

C(c1cc(c(c(c1)OC)OC)OC)(=O)OC1CCN(CC1)CCc1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 319, 1964.