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Substance Name: Benzenamine, 4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)-N-methyl-, trihydrochloride, hydrate
RN: 104655-23-4
InChIKey: AXFRRAFNZQAHRY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-N3-O2.3Cl-H.H2-O

Molecular Weight

  • 464.862
 
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Names and Synonyms

Synonym

  • 4-(3-(4-(2-Methoxyphenyl)-1-piperazinyl)propoxy)-N-methylbenzenamine trihydrochloride hydrate

Systematic Name

  • Benzenamine, 4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)-N-methyl-, trihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 104655-23-4

System Generated Number

  • 0104655234

Molecular Formulas

Molecular Formula

  • C21-H29-N3-O2.3Cl-H.H2-O

Molecular Formula Fragments

  • C21-H29-N3-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H29N3O2.3ClH/c1-22-18-8-10-19(11-9-18)26-17-5-12-23-13-15-24(16-14-23)20-6-3-4-7-21(20)25-2;;;/h3-4,6-11,22H,5,12-17H2,1-2H3;3*1H

InChIKey

AXFRRAFNZQAHRY-UHFFFAOYSA-N

Smiles

c1c(c(N2CCN(CC2)CCCOc2ccc(cc2)NC)ccc1)OC.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 261mg/kg (261mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 24, Pg. 733, 1985.