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Substance Name: 1,6-Hexanedione, 2,5-bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)-, dihydrochloride
RN: 136767-12-9
InChIKey: BBLCWMCYILUVAQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H52-N2-O4.2Cl-H

Molecular Weight

  • 649.7386
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 136767-12-9

System Generated Number

  • 0136767129

Molecular Formulas

Molecular Formula

  • C36-H52-N2-O4.2Cl-H

Molecular Formula Fragments

  • C36-H52-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C36H52N2O4.2ClH/c1-3-25-41-33-17-13-29(14-18-33)35(39)31(27-37-21-7-5-8-22-37)11-12-32(28-38-23-9-6-10-24-38)36(40)30-15-19-34(20-16-30)42-26-4-2;;/h13-20,31-32H,3-12,21-28H2,1-2H3;2*1H

InChIKey

BBLCWMCYILUVAQ-UHFFFAOYSA-N

Smiles

CCCOc1ccc(cc1)C(=O)C(CCC(CN2CCCCC2)C(=O)c3ccc(cc3)OCCC)CN4CCCCC4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 539, 1991.