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Substance Name: 1-Propanone, 3-(4-(2-(4-fluorophenyl)-2-(1-pyrrolidinyl)ethyl)-1-piperazinyl)-2-methyl-1-phenyl-, hydrochloride, hydrate (1:3:1)
RN: 89011-84-7
InChIKey: KBDWPHVLTXGTSY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-F-N3-O.3Cl-H.H2-O

Molecular Weight

  • 514.0779
 
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Names and Synonyms

Synonym

  • 1-(2-Benzoylpropyl)-4-(2-(4-fluorophenyl)-2-pyrrolidinoethyl)piperazine trihydrochloride H2O

Systematic Name

  • 1-Propanone, 3-(4-(2-(4-fluorophenyl)-2-(1-pyrrolidinyl)ethyl)-1-piperazinyl)-2-methyl-1-phenyl-, hydrochloride, hydrate (1:3:1)

Registry Numbers

CAS Registry Number

  • 89011-84-7

System Generated Number

  • 0089011847

Molecular Formulas

Molecular Formula

  • C26-H34-F-N3-O.3Cl-H.H2-O

Molecular Formula Fragments

  • C26-H34-F-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H34FN3O.ClH.3H2O/c1-21(26(31)23-7-3-2-4-8-23)19-28-15-17-29(18-16-28)20-25(30-13-5-6-14-30)22-9-11-24(27)12-10-22;;;;/h2-4,7-12,21,25H,5-6,13-20H2,1H3;1H;3*1H2

InChIKey

KBDWPHVLTXGTSY-UHFFFAOYSA-N

Smiles

C(=O)(C(CN1CCN(CC1)CC(N1CCCC1)c1ccc(cc1)F)C)c1ccccc1.Cl.O.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 2977, 1983.