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Substance Name: 1,6-Hexanedione, 2,5-bis(1-piperidinylmethyl)-1,6-diphenyl-, dihydrochloride
RN: 136767-09-4
InChIKey: WSRSMGMYZWLUGV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H40-N2-O2.2Cl-H

Molecular Weight

  • 533.5798
 
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Names and Synonyms

Synonym

  • 2,5-Bis(1-piperidinylmethyl)-1,6-diphenyl-1,6-hexanedione dihydrochloride

Systematic Names

  • 1,6-Hexanedione, 1,6-diphenyl-2,5-bis(1-piperidinylmethyl)-, dihydrochloride
  • 1,6-Hexanedione, 2,5-bis(1-piperidinylmethyl)-1,6-diphenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 136767-09-4

System Generated Number

  • 0136767094

Molecular Formulas

Molecular Formula

  • C30-H40-N2-O2.2Cl-H

Molecular Formula Fragments

  • C30-H40-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H40N2O2.2ClH/c33-29(25-13-5-1-6-14-25)27(23-31-19-9-3-10-20-31)17-18-28(24-32-21-11-4-12-22-32)30(34)26-15-7-2-8-16-26;;/h1-2,5-8,13-16,27-28H,3-4,9-12,17-24H2;2*1H

InChIKey

WSRSMGMYZWLUGV-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)C(CCC(CN2CCCCC2)C(=O)c3ccccc3)CN4CCCCC4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 539, 1991.