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Substance Name: Piperazine, 1-(beta-isobutoxyphenethyl)-4-(4-pyridyl)-, trihydrochloride
RN: 13694-56-9
InChIKey: XYCSLOJVGNWMCY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-N3-O.3Cl-H

Molecular Weight

  • 448.863
 
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Names and Synonyms

Synonym

  • 1-(beta-Isobutoxyphenethyl)-4-(4-pyridyl)piperazine trihydrochloride

Systematic Name

  • Piperazine, 1-(beta-isobutoxyphenethyl)-4-(4-pyridyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 13694-56-9

System Generated Number

  • 0013694569

Molecular Formulas

Molecular Formula

  • C21-H29-N3-O.3Cl-H

Molecular Formula Fragments

  • C21-H29-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29N3O.3ClH/c1-21(2,3)25-20(17-18-7-5-4-6-8-18)24-15-13-23(14-16-24)19-9-11-22-12-10-19;;;/h4-12,20H,13-17H2,1-3H3;3*1H

InChIKey

XYCSLOJVGNWMCY-UHFFFAOYSA-N

Smiles

Cl.N1(CCN(CC1)c1ccncc1)[C@@H](Cc1ccccc1)OC(C)(C)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 280mg/kg (280mg/kg)   United States Patent Document. Vol. #3448192,