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Substance Name: 1,5-Pentanedione, 2,4-bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-diphenyl-, dihydrochloride
RN: 90816-08-3
InChIKey: UAASVSDQHXILJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H42-N2-O2.2Cl-H

Molecular Weight

  • 547.6066
 
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Names and Synonyms

Synonym

  • 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-diphenyl-1,5-pentanedione dihydrochloride

Systematic Name

  • 1,5-Pentanedione, 2,4-bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-diphenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 90816-08-3

System Generated Number

  • 0090816083

Molecular Formulas

Molecular Formula

  • C31-H42-N2-O2.2Cl-H

Molecular Formula Fragments

  • C31-H42-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H42N2O2.2ClH/c34-30(26-15-7-5-8-16-26)28(24-32-19-11-1-2-12-20-32)23-29(25-33-21-13-3-4-14-22-33)31(35)27-17-9-6-10-18-27;;/h5-10,15-18,28-29H,1-4,11-14,19-25H2;2*1H

InChIKey

UAASVSDQHXILJI-UHFFFAOYSA-N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 488, 1986.