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Substance Name: 2-Propanol, 1-(4-(3,4-dimethylphenyl)piperazinyl)-3-(p-cymen-3-yloxy)-, dihydrochloride
RN: 63716-06-3
InChIKey: NZZWSEZHSXKDLZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H36-N2-O2.2Cl-H

Molecular Weight

  • 469.493
 
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Names and Synonyms

Synonym

  • 1-(4-(3,4-Dimethylphenyl)piperazinyl)-3-(p-cymen-3-yloxy)-2-propanol dihydrochloride

Systematic Name

  • 2-Propanol, 1-(4-(3,4-dimethylphenyl)piperazinyl)-3-(p-cymen-3-yloxy)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 63716-06-3

System Generated Number

  • 0063716063

Molecular Formulas

Molecular Formula

  • C25-H36-N2-O2.2Cl-H

Molecular Formula Fragments

  • C25-H36-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H36N2O2.2ClH/c1-18(2)24-9-6-19(3)14-25(24)29-17-23(28)16-26-10-12-27(13-11-26)22-8-7-20(4)21(5)15-22;;/h6-9,14-15,18,23,28H,10-13,16-17H2,1-5H3;2*1H

InChIKey

NZZWSEZHSXKDLZ-UHFFFAOYSA-N

Smiles

N1(c2cc(C)c(cc2)C)CCN(CC1)C[C@@H](COc1c(ccc(c1)C)C(C)C)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Journal of Medicinal Chemistry. Vol. 16, Pg. 797, 1973.