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Substance Name: 1,6-Hexanedione, 1,6-bis(4-butoxyphenyl)-2,5-bis(1-piperidinylmethyl)-, dihydrochloride
RN: 136767-13-0
InChIKey: ZYXBPXCRKGFOQY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H56-N2-O4.2Cl-H

Molecular Weight

  • 677.7922
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 136767-13-0

System Generated Number

  • 0136767130

Molecular Formulas

Molecular Formula

  • C38-H56-N2-O4.2Cl-H

Molecular Formula Fragments

  • C38-H56-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C38H56N2O4.2ClH/c1-3-5-27-43-35-19-15-31(16-20-35)37(41)33(29-39-23-9-7-10-24-39)13-14-34(30-40-25-11-8-12-26-40)38(42)32-17-21-36(22-18-32)44-28-6-4-2;;/h15-22,33-34H,3-14,23-30H2,1-2H3;2*1H

InChIKey

ZYXBPXCRKGFOQY-UHFFFAOYSA-N

Smiles

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