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Substance Name: 1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride
RN: 104655-22-3
InChIKey: UBHVDPWKQVRLPX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H35-N3-O4.3Cl-H

Molecular Weight

  • 598.995
 
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Names and Synonyms

  • 1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 104655-22-3

System Generated Number

  • 0104655223

Molecular Formulas

Molecular Formula

  • C29-H35-N3-O4.3Cl-H

Molecular Formula Fragments

  • C29-H35-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H35N3O4.3ClH/c1-33-27-8-3-2-7-26(27)32-18-16-31(17-19-32)15-6-20-34-24-13-11-23(12-14-24)30-21-25-22-35-28-9-4-5-10-29(28)36-25;;;/h2-5,7-14,25,30H,6,15-22H2,1H3;3*1H

InChIKey

UBHVDPWKQVRLPX-UHFFFAOYSA-N

Smiles

c1c(OC)c(ccc1)N1CCN(CC1)CCCOc1ccc(cc1)NC[C@@H]1Oc2c(OC1)cccc2.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 215mg/kg (215mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 733, 1985.