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Substance Name: Acetonitrile, 2-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidylidene)-2-phenyl-, hydrochloride
RN: 97805-03-3
InChIKey: LHMDSBDHRXPARH-UHFFFAOYSA-N

Molecular Formula

  • C23-H23-F-N2-O.Cl-H

Molecular Weight

  • 398.9066
 
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Names and Synonyms

Synonym

  • 1-(3-p-Fluorobenzoylpropyl)-alpha-phenyl-delta(sup 4),alpha-piperidine acetonitrile HCl

Systematic Name

  • Acetonitrile, 2-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidylidene)-2-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 97805-03-3

System Generated Number

  • 0097805033

Molecular Formulas

Molecular Formula

  • C23-H23-F-N2-O.Cl-H

Molecular Formula Fragments

  • C23-H23-F-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H23FN2O.ClH/c24-21-10-8-20(9-11-21)23(27)7-4-14-26-15-12-19(13-16-26)22(17-25)18-5-2-1-3-6-18;/h1-3,5-6,8-11H,4,7,12-16H2;1H

InChIKey

LHMDSBDHRXPARH-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=C2CC[NH+](CC2)CCCC(=O)c3ccc(cc3)F)C#N.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11588,