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Substance Name: 1-Propanone, 3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-2-methyl-1-(2-thienyl)-, dihydrochloride
RN: 21263-10-5
InChIKey: DPEMSRQYYFUVIB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-N2-O2-S.2Cl-H

Molecular Weight

  • 487.532
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 21263-10-5

System Generated Number

  • 0021263105

Molecular Formulas

Molecular Formula

  • C24-H34-N2-O2-S.2Cl-H

Molecular Formula Fragments

  • C24-H34-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H34N2O2S.2ClH/c1-19(23(27)21-11-8-16-29-21)18-25-12-14-26(15-13-25)22(28-24(2,3)4)17-20-9-6-5-7-10-20;;/h5-11,16,19,22H,12-15,17-18H2,1-4H3;2*1H

InChIKey

DPEMSRQYYFUVIB-UHFFFAOYSA-N

Smiles

C(=O)(c1cccs1)[C@@H](C)CN1CCN(CC1)[C@@H](Cc1ccccc1)OC(C)(C)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #3448192,