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Substance Name: Benzhydrol, alpha-(1-methyl-2-(3,4,5-trimethoxybenzylamino)ethyl)-, hydrochloride
RN: 24789-43-3
InChIKey: DAMMDFYMKYBVBT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-N-O4.Cl-H

Molecular Weight

  • 457.995
 
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Names and Synonyms

Synonyms

  • 1,1-Diphenyl-2-methyl-3-(3,4,5-trimethoxybenzylamino)propanol hydrochloride
  • alpha-(1-Methyl-2-(3,4,5-trimethoxybenzylamino)ethyl)benzhydrol hydrochloride

Systematic Name

  • Benzhydrol, alpha-(1-methyl-2-(3,4,5-trimethoxybenzylamino)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 24789-43-3

System Generated Number

  • 0024789433

Molecular Formulas

Molecular Formula

  • C26-H31-N-O4.Cl-H

Molecular Formula Fragments

  • C26-H31-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H31NO4.ClH/c1-19(17-27-18-20-15-23(29-2)25(31-4)24(16-20)30-3)26(28,21-11-7-5-8-12-21)22-13-9-6-10-14-22;/h5-16,19,27-28H,17-18H2,1-4H3;1H

InChIKey

DAMMDFYMKYBVBT-UHFFFAOYSA-N

Smiles

c1(ccccc1)C(O)(c1ccccc1)[C@@H](CNCc1cc(c(c(c1)OC)OC)OC)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1106, 1971.