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Substance Name: 1,8-Octanedione, 2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-diphenyl-, dihydrochloride
RN: 120698-33-1
InChIKey: MQSVEQWTRBEFGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H48-N2-O2.2Cl-H

Molecular Weight

  • 589.687
 
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Names and Synonyms

Synonym

  • 2,7-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-diphenyl-1,8-octanedione dihydrochloride

Systematic Name

  • 1,8-Octanedione, 2,7-bis((hexahydro-1H-azepin-1-yl)methyl)-1,8-diphenyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 120698-33-1

System Generated Number

  • 0120698331

Molecular Formulas

Molecular Formula

  • C34-H48-N2-O2.2Cl-H

Molecular Formula Fragments

  • C34-H48-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C34H48N2O2.2ClH/c37-33(29-17-7-5-8-18-29)31(27-35-23-13-1-2-14-24-35)21-11-12-22-32(28-36-25-15-3-4-16-26-36)34(38)30-19-9-6-10-20-30;;/h5-10,17-20,31-32H,1-4,11-16,21-28H2;2*1H

InChIKey

MQSVEQWTRBEFGG-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)C(CCCCC(CN2CCCCCC2)C(=O)c3ccccc3)CN4CCCCCC4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 326mg/kg (326mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 676, 1988.