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Substance Name: Benzenemethanamine, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride
RN: 104655-26-7
InChIKey: RLFBHSULMCTVBJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H33-N3-O2.3Cl-H

Molecular Weight

  • 540.9594
 
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Names and Synonyms

Synonym

  • N-(4-(3-(4-(2-Methoxyphenyl)-1-piperazinyl)propoxy)phenyl)benzenemethanamine 3HCl

Systematic Name

  • Benzenemethanamine, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 104655-26-7

System Generated Number

  • 0104655267

Molecular Formulas

Molecular Formula

  • C27-H33-N3-O2.3Cl-H

Molecular Formula Fragments

  • C27-H33-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H33N3O2.3ClH/c1-31-27-11-6-5-10-26(27)30-19-17-29(18-20-30)16-7-21-32-25-14-12-24(13-15-25)28-22-23-8-3-2-4-9-23;;;/h2-6,8-15,28H,7,16-22H2,1H3;3*1H

InChIKey

RLFBHSULMCTVBJ-UHFFFAOYSA-N

Smiles

COc1ccccc1N2CCN(CC2)CCCOc3ccc(cc3)NCc4ccccc4.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 316mg/kg (316mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 733, 1985.