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Substance Name: 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride
RN: 98131-84-1
InChIKey: ZOPNJLOVKSNXKQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O.2Cl-H

Molecular Weight

  • 395.3712
 
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Names and Synonyms

Synonyms

  • 1-(2-(Benzylamino)ethyl)-4-phenyl-4-piperidinecarboxaldehyde dihydrochloride
  • 3116 I.S.

Systematic Names

  • 4-Piperidinecarboxaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride
  • Isonipecotaldehyde, 1-(2-(benzylamino)ethyl)-4-phenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 98131-84-1

System Generated Number

  • 0098131841

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O.2Cl-H

Molecular Formula Fragments

  • C21-H26-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2O.2ClH/c24-18-21(20-9-5-2-6-10-20)11-14-23(15-12-21)16-13-22-17-19-7-3-1-4-8-19;;/h1-10,18,22H,11-17H2;2*1H

InChIKey

ZOPNJLOVKSNXKQ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CNCCN2CCC(CC2)(C=O)c3ccccc3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Farmaco, Edizione Scientifica. Vol. 19, Pg. 14, 1964.
rabbit LD50 intravenous 30mg/kg (30mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Farmaco, Edizione Scientifica. Vol. 19, Pg. 14, 1964.