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Substance Name: Piperazine, 1-(3-(2-methoxyphenoxy)-3-phenylpropyl)-4-methyl-, hydrochloride, hydrate (2:4:1)
RN: 79333-00-9
InChIKey: JEJITJMOQQJEQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N2-O2.2Cl-H.1/2H2-O

Molecular Weight

  • 413.386
 
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Names and Synonyms

Synonym

  • 1-(3-(2-Methoxyphenoxy)-3-phenylpropyl)-4-methylpiperazine dihydrochloride hemihydrate

Systematic Name

  • Piperazine, 1-(3-(2-methoxyphenoxy)-3-phenylpropyl)-4-methyl-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 79333-00-9

System Generated Number

  • 0079333009

Molecular Formulas

Molecular Formula

  • C21-H28-N2-O2.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C21-H28-N2-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H28N2O2.2ClH/c1-22-14-16-23(17-15-22)13-12-19(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)24-2;;/h3-11,19H,12-17H2,1-2H3;2*1H

InChIKey

JEJITJMOQQJEQL-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)CCC(c2ccccc2)Oc3ccccc3OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 1280, 1981.
mouse LD50 oral 500mg/kg (500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 1280, 1981.