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Substance Name: 1,8-Octanedione, 1,8-bis(4-butoxyphenyl)-2,7-bis(4-morpholinylmethyl)-, dihydrochloride
RN: 138371-24-1
InChIKey: KVJOSUKBDNBQME-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H56-N2-O6.2Cl-H

Molecular Weight

  • 709.7902
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 138371-24-1

System Generated Number

  • 0138371241

Molecular Formulas

Molecular Formula

  • C38-H56-N2-O6.2Cl-H

Molecular Formula Fragments

  • C38-H56-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C38H56N2O6.2ClH/c1-3-5-23-45-35-15-11-31(12-16-35)37(41)33(29-39-19-25-43-26-20-39)9-7-8-10-34(30-40-21-27-44-28-22-40)38(42)32-13-17-36(18-14-32)46-24-6-4-2;;/h11-18,33-34H,3-10,19-30H2,1-2H3;2*1H

InChIKey

KVJOSUKBDNBQME-UHFFFAOYSA-N

Smiles

CCCCOc1ccc(cc1)C(=O)C(CCCCC(CN2CCOCC2)C(=O)c3ccc(cc3)OCCCC)CN4CCOCC4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo intraperitoneal 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 775, 1991.