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Substance Name: 1,8-Octanedione, 1,8-bis(4-butoxyphenyl)-2,7-bis(1-piperidinylmethyl)-, dihydrochloride
RN: 138371-30-9
InChIKey: XJNXQMPJJARNEC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H60-N2-O4.2Cl-H

Molecular Weight

  • 705.8458
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 138371-30-9

System Generated Number

  • 0138371309

Molecular Formulas

Molecular Formula

  • C40-H60-N2-O4.2Cl-H

Molecular Formula Fragments

  • C40-H60-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C40H60N2O4.2ClH/c1-3-5-29-45-37-21-17-33(18-22-37)39(43)35(31-41-25-11-7-12-26-41)15-9-10-16-36(32-42-27-13-8-14-28-42)40(44)34-19-23-38(24-20-34)46-30-6-4-2;;/h17-24,35-36H,3-16,25-32H2,1-2H3;2*1H

InChIKey

XJNXQMPJJARNEC-UHFFFAOYSA-N

Smiles

CCCCOc1ccc(cc1)C(=O)C(CCCCC(CN2CCCCC2)C(=O)c3ccc(cc3)OCCCC)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.