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Substance Name: Acetophenone, 2-(4-(p-tert-butylbenzyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
RN: 16785-31-2
InChIKey: SLQYSWPYVBTZPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H36-N2-O4.2Cl-H

Molecular Weight

  • 513.502
 
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Names and Synonyms

Synonyms

  • 1-(p-tert-Butylbenzyl)-4-(3,4,5-trimethoxybenzoylemethyl)piperazine dihydrochloride
  • 2-(4-(p-tert-Butylbenzyl)piperazinyl)-3',4',5'-trimethoxyacetophenone dihydrochloride
  • Piperazine, 1-(p-tert-butylbenzyl)-4-(3,4,5-trimethoxybenzoylmethyl)-, dihydrochloride

Systematic Name

  • Acetophenone, 2-(4-(p-tert-butylbenzyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 16785-31-2

System Generated Number

  • 0016785312

Molecular Formulas

Molecular Formula

  • C26-H36-N2-O4.2Cl-H

Molecular Formula Fragments

  • C26-H36-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H36N2O4.2ClH/c1-26(2,3)23-6-4-19(5-7-23)14-27-8-10-28(11-9-27)15-25(32)20-12-21(16-29)24(18-31)22(13-20)17-30;;/h4-7,12-13,29-31H,8-11,14-18H2,1-3H3;2*1H

InChIKey

SLQYSWPYVBTZPE-UHFFFAOYSA-N

Smiles

N1(CC(c2cc(CO)c(c(c2)CO)CO)=O)CCN(CC1)Cc1ccc(C(C)(C)C)cc1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 332, 1968.