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Substance Name: Penten-3-ol, 5-(4-(o-fluorophenyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, dihydrochloride
RN: 37151-52-3
InChIKey: NOPNPWGOSOEBRI-YEUQMBKVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-F-N2-O4.2Cl-H

Molecular Weight

  • 503.439
 
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Names and Synonyms

Synonym

  • 1-Piperazinepropanol, 4-(o-fluorophenyl)-alpha-(3,4,5-trimethoxystyryl)-, dihydrochloride

Systematic Name

  • Penten-3-ol, 5-(4-(o-fluorophenyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 37151-52-3

System Generated Number

  • 0037151523

Molecular Formulas

Molecular Formula

  • C24-H31-F-N2-O4.2Cl-H

Molecular Formula Fragments

  • C24-H31-F-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31FN2O4.2ClH/c1-29-22-16-18(17-23(30-2)24(22)31-3)8-9-19(28)10-11-26-12-14-27(15-13-26)21-7-5-4-6-20(21)25;;/h4-9,16-17,19,28H,10-15H2,1-3H3;2*1H/b9-8+;;

InChIKey

NOPNPWGOSOEBRI-YEUQMBKVSA-N

Smiles

N1(CCN(CC1)c1c(cccc1)F)CC[C@@H](O)\C=C\c1cc(c(c(c1)OC)OC)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 417, 1972.