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Substance Name: 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis(1-piperidinylmethyl)-, dihydrochloride
RN: 138371-28-5
InChIKey: XOVFCMMJNBGJHO-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

  • 1,8-Bis(4-ethoxyphenyl)-2,7-bis(1-piperidinylmethyl)-1,8-octanedione dihydrochloride

Systematic Name

  • 1,8-Octanedione, 1,8-bis(4-ethoxyphenyl)-2,7-bis(1-piperidinylmethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 138371-28-5

System Generated Number

  • 0138371285

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/c1-3-41-33-19-15-29(16-20-33)35(39)31(27-37-23-9-5-10-24-37)13-7-8-14-32(28-38-25-11-6-12-26-38)36(40)30-17-21-34(22-18-30)42-4-2;;/h15-22,31-32H,3-14,23-28H2,1-2H3;2*1H

InChIKey

XOVFCMMJNBGJHO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo intraperitoneal 40mg/kg (40mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 775, 1991.