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Substance Name: 4-Piperidinecarboxaldehyde, 1-(2-(dibenzylamino)ethyl)-4-phenyl-, picrate (1:2)
RN: 96765-59-2
InChIKey: CSLRKKXNELWWAD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H32-N2-O.2C6-H3-N3-O7

Molecular Weight

  • 870.7812
 
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Names and Synonyms

Synonyms

  • 1-(2-(Dibenzylamino)ethyl)-4-phenyl-4-piperidinecarboxaldehyde picrate (1:2)
  • 3071 I.S.

Systematic Names

  • 4-Piperidinecarboxaldehyde, 1-(2-(dibenzylamino)ethyl)-4-phenyl-, picrate (1:2)
  • Isonipecotaldehyde, 1-(2-(dibenzylamino)ethyl)-4-phenyl-, dipicrate

Registry Numbers

CAS Registry Number

  • 96765-59-2

System Generated Number

  • 0096765592

Molecular Formulas

Molecular Formula

  • C28-H32-N2-O.2C6-H3-N3-O7

Molecular Formula Fragments

  • C28-H32-N2-O
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C28H32N2O.2C6H3N3O7/c31-24-28(27-14-8-3-9-15-27)16-18-29(19-17-28)20-21-30(22-25-10-4-1-5-11-25)23-26-12-6-2-7-13-26;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-15,24H,16-23H2;2*1-2,10H

InChIKey

CSLRKKXNELWWAD-UHFFFAOYSA-N

Smiles

C(=O)C1(CCN(CC1)CCN(Cc1ccccc1)Cc1ccccc1)c1ccccc1.Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Farmaco, Edizione Scientifica. Vol. 19, Pg. 14, 1964.