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Substance Name: 2-Pyridinepropanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride
RN: 3414-23-1
InChIKey: TWCICHBHALIBEQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O5.Cl-H

Molecular Weight

  • 367.827
 
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Names and Synonyms

Synonym

  • Benzoic acid, 3,4,5-trimethoxy-, (3-(2-pyridyl)propyl) ester, hydrochloride

Systematic Name

  • 2-Pyridinepropanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 3414-23-1

System Generated Number

  • 0003414231

Molecular Formulas

Molecular Formula

  • C18-H21-N-O5.Cl-H

Molecular Formula Fragments

  • C18-H21-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21NO5.ClH/c1-21-15-11-13(12-16(22-2)17(15)23-3)18(20)24-10-6-8-14-7-4-5-9-19-14;/h4-5,7,9,11-12H,6,8,10H2,1-3H3;1H

InChIKey

TWCICHBHALIBEQ-UHFFFAOYSA-N

Smiles

C(c1cc(c(c(c1)OC)OC)OC)(=O)OCCCc1ccccn1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 290mg/kg (290mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 151, 1966.