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Substance Name: 1-Propanone, 3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-2-methyl-1-(2-thienyl)-, dihydrochloride
RN: 22261-65-0
InChIKey: VZFPWHBFJZXXLW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H36-N2-O2-S.2Cl-H

Molecular Weight

  • 501.559
 
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Names and Synonyms

  • 1-Propanone, 3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-2-methyl-1-(2-thienyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 22261-65-0

System Generated Number

  • 0022261650

Molecular Formulas

Molecular Formula

  • C25-H36-N2-O2-S.2Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C25H36N2O2S.2ClH/c1-20(2)11-16-29-23(22-8-5-4-6-9-22)19-27-14-12-26(13-15-27)18-21(3)25(28)24-10-7-17-30-24;;/h4-10,17,20-21,23H,11-16,18-19H2,1-3H3;2*1H

InChIKey

VZFPWHBFJZXXLW-UHFFFAOYSA-N

Smiles

C(=O)(c1cccs1)[C@@H](C)CN1CCN(CC1)C[C@@H](c1ccccc1)OCCC(C)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #3448192,