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Substance Name: 1-Piperazineethanol, alpha-(((1-ethynylcyclohexyl)oxy)methyl)-4-(2-methoxyphenyl)-, dihydrochloride
RN: 50743-95-8
InChIKey: PCPXLCJDRCIHIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H32-N2-O3.2Cl-H

Molecular Weight

  • 445.4276
 
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Names and Synonyms

Synonym

  • 1-(3-(1-Ethynyl)cyclohexyloxy 2-hydroxy)propyl 4-(2-methoxyphenyl)piperazine chlorhydrate

Systematic Name

  • 1-Piperazineethanol, alpha-(((1-ethynylcyclohexyl)oxy)methyl)-4-(2-methoxyphenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 50743-95-8

System Generated Number

  • 0050743958

Molecular Formulas

Molecular Formula

  • C22-H32-N2-O3.2Cl-H

Molecular Formula Fragments

  • C22-H32-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H32N2O3.2ClH/c1-3-22(11-7-4-8-12-22)27-18-19(25)17-23-13-15-24(16-14-23)20-9-5-6-10-21(20)26-2;;/h1,5-6,9-10,19,25H,4,7-8,11-18H2,2H3;2*1H

InChIKey

PCPXLCJDRCIHIP-UHFFFAOYSA-N

Smiles

COc1ccccc1N2CCN(CC2)CC(COC3(CCCCC3)C#C)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 60mg/kg (60mg/kg)   French Demande Patent Document. Vol. #2224137,