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Substance Name: 1,6-Hexanedione, 1,6-bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-, dihydrochloride
RN: 136767-11-8
InChIKey: JNUBSFBAWSFVJT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H48-N2-O4.2Cl-H

Molecular Weight

  • 621.685
 
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Names and Synonyms

Synonym

  • 1,6-Bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-1,6-hexanedione dihydrochloride

Systematic Name

  • 1,6-Hexanedione, 1,6-bis(4-ethoxyphenyl)-2,5-bis(1-piperidinylmethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 136767-11-8

System Generated Number

  • 0136767118

Molecular Formulas

Molecular Formula

  • C34-H48-N2-O4.2Cl-H

Molecular Formula Fragments

  • C34-H48-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C34H48N2O4.2ClH/c1-3-39-31-17-13-27(14-18-31)33(37)29(25-35-21-7-5-8-22-35)11-12-30(26-36-23-9-6-10-24-36)34(38)28-15-19-32(20-16-28)40-4-2;;/h13-20,29-30H,3-12,21-26H2,1-2H3;2*1H

InChIKey

JNUBSFBAWSFVJT-UHFFFAOYSA-N

Smiles

CCOc1ccc(cc1)C(=O)C(CCC(CN2CCCCC2)C(=O)c3ccc(cc3)OCC)CN4CCCCC4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 539, 1991.