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Substance Name: Bicyclo(3.3.1)nonan-9-one, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, monohydrochloride
RN: 16299-99-3
InChIKey: JUEWIXYNFSAJES-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-F3-N2-O.Cl-H

Molecular Weight

  • 402.885
 
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Names and Synonyms

Synonym

  • 2-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)bicyclo(3.3.1)nonan-9-one hydrochloride

Systematic Name

  • Bicyclo(3.3.1)nonan-9-one, 2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 16299-99-3

System Generated Number

  • 0016299993

Molecular Formulas

Molecular Formula

  • C20-H25-F3-N2-O.Cl-H

Molecular Formula Fragments

  • C20-H25-F3-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25F3N2O.ClH/c21-20(22,23)15-4-2-5-16(13-15)24-9-11-25(12-10-24)18-8-7-14-3-1-6-17(18)19(14)26;/h2,4-5,13-14,17-18H,1,3,6-12H2;1H

InChIKey

JUEWIXYNFSAJES-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H]2CCC[C@@H](C1)C2=O)N1CCN(CC1)c1cc(ccc1)C(F)(F)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 301, 1972.