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Substance Name: 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
RN: 110406-73-0
InChIKey: MTXSIUGJWLKTBF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H36-F-N3-O2.Cl-H

Molecular Weight

  • 538.1033
 
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Names and Synonyms

  • 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 110406-73-0

System Generated Number

  • 0110406730

Molecular Formulas

Molecular Formula

  • C31-H36-F-N3-O2.Cl-H

Molecular Formula Fragments

  • C31-H36-F-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H36FN3O2.ClH/c32-23-12-10-21(11-13-23)18-29-27-8-4-5-9-28(27)31(37)35(33-29)26-19-24-14-15-25(20-26)34(24)17-16-30(36)22-6-2-1-3-7-22;/h4-5,8-13,22,24-26H,1-3,6-7,14-20H2;1H

InChIKey

MTXSIUGJWLKTBF-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(nn(c2=O)C3CC4CCC(C3)N4CCC(=O)C5CCCCC5)Cc6ccc(cc6)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4841047,