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Substance Name: Benzonitrile, 3-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)-, (+-)-
RN: 49646-10-8
InChIKey: NHTKUUPIBILRBL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N3-O2

Molecular Weight

  • 337.421
 
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Names and Synonyms

Synonyms

  • (+-)-3-(2-Hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)benzonitrile
  • 5-23-02-00115 (Beilstein Handbook Reference)
  • BRN 0838252

Systematic Name

  • Benzonitrile, 3-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)-, (+-)-

Registry Numbers

CAS Registry Number

  • 49646-10-8

System Generated Number

  • 0049646108

Structure Descriptors

InChI

1S/C20H23N3O2/c21-14-17-5-4-8-20(13-17)25-16-19(24)15-22-9-11-23(12-10-22)18-6-2-1-3-7-18/h1-8,13,19,24H,9-12,15-16H2

InChIKey

NHTKUUPIBILRBL-UHFFFAOYSA-N

Smiles

C(c1cc(ccc1)OC[C@@H](CN1CCN(CC1)c1ccccc1)O)#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Medicinal Chemistry. Vol. 16, Pg. 797, 1973.