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Substance Name: Bicyclo(3.3.1)nonan-9-ol, 2-(4-(4-fluorophenyl)-1-piperazinyl)-9-phenyl-, monohydrochloride
RN: 30297-93-9
InChIKey: NWRCWZFYAGOCIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-F-N2-O.Cl-H

Molecular Weight

  • 430.992
 
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Names and Synonyms

Synonym

  • 2-(4-(4-Fluorophenyl)-1-piperazinyl)-9-phenylbicyclo(3.3.1)nonan-9-ol hydrochloride

Systematic Name

  • Bicyclo(3.3.1)nonan-9-ol, 2-(4-(4-fluorophenyl)-1-piperazinyl)-9-phenyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 30297-93-9

System Generated Number

  • 0030297939

Molecular Formulas

Molecular Formula

  • C25-H31-F-N2-O.Cl-H

Molecular Formula Fragments

  • C25-H31-F-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31FN2O.ClH/c26-21-10-12-22(13-11-21)27-15-17-28(18-16-27)24-14-9-20-7-4-8-23(24)25(20,29)19-5-2-1-3-6-19;/h1-3,5-6,10-13,20,23-24,29H,4,7-9,14-18H2;1H

InChIKey

NWRCWZFYAGOCIC-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H]2CCC[C@@H](C1)[C@@]2(O)c1ccccc1)N1CCN(CC1)c1ccc(cc1)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 301, 1972.