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Substance Name: 1-Piperazinepropanamide, 4-(2-pyridinyl)-N-(3-(trifluoromethyl)phenyl)-, dihydrochloride
RN: 104373-73-1
InChIKey: VXWPTBJKGWUGHH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-F3-N4-O.2Cl-H

Molecular Weight

  • 451.3177
 
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Names and Synonyms

Synonym

  • 4-(2-Pyridinyl)-N-(3-(trifluoromethyl)phenyl)-1-piperazinepropanamide dihydrochloride

Systematic Name

  • 1-Piperazinepropanamide, 4-(2-pyridinyl)-N-(3-(trifluoromethyl)phenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 104373-73-1

System Generated Number

  • 0104373731

Molecular Formulas

Molecular Formula

  • C19-H21-F3-N4-O.2Cl-H

Molecular Formula Fragments

  • C19-H21-F3-N4-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21F3N4O.2ClH/c20-19(21,22)14-4-3-5-15(12-14)26-11-10-25(9-7-18(23)27)13-17(26)16-6-1-2-8-24-16;;/h1-6,8,12,17H,7,9-11,13H2,(H2,23,27);2*1H

InChIKey

VXWPTBJKGWUGHH-UHFFFAOYSA-N

Smiles

Cl.Cl.c1(ncccc1)[C@@H]1N(CC[N@@](C1)CCC(=O)N)c1cc(ccc1)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 253mg/kg (253mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral 528mg/kg (528mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.