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Substance Name: 2-Propanol, 1-(4-(3,4-dimethylphenyl)piperazinyl)-3-(2-formylphenoxy)-, dihydrochloride
RN: 63716-07-4
InChIKey: PWHUBFUUJPVEOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O3.2Cl-H

Molecular Weight

  • 441.396
 
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Names and Synonyms

Synonym

  • Benzaldehyde, o-(2-hydroxy-3-(4-(3,4-xylyl)-1-piperazinyl)propoxy)-, dihydrochloride

Systematic Name

  • 2-Propanol, 1-(4-(3,4-dimethylphenyl)piperazinyl)-3-(2-formylphenoxy)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 63716-07-4

System Generated Number

  • 0063716074

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O3.2Cl-H

Molecular Formula Fragments

  • C22-H28-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N2O3.2ClH/c1-17-7-8-20(13-18(17)2)24-11-9-23(10-12-24)14-21(26)16-27-22-6-4-3-5-19(22)15-25;;/h3-8,13,15,21,26H,9-12,14,16H2,1-2H3;2*1H

InChIKey

PWHUBFUUJPVEOV-UHFFFAOYSA-N

Smiles

N1(c2cc(C)c(cc2)C)CCN(CC1)C[C@@H](COc1c(C=O)cccc1)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 797, 1973.