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Substance Name: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-phenylethyl)-1H-azepin-4-yl)-, monohydrochloride
RN: 110406-33-2
InChIKey: KBNISKYDAJMVNI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H30-F-N3-O.Cl-H

Molecular Weight

  • 492.035
 
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Names and Synonyms

  • 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-phenylethyl)-1H-azepin-4-yl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 110406-33-2

Related Registry Number

  • 135381-77-0 (Parent)

System Generated Number

  • 0110406332

Molecular Formulas

Molecular Formula

  • C29-H30-F-N3-O.Cl-H

Molecular Formula Fragments

  • C29-H30-F-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H30FN3O.ClH/c30-24-14-12-23(13-15-24)21-28-26-10-4-5-11-27(26)29(34)33(31-28)25-9-6-18-32(20-17-25)19-16-22-7-2-1-3-8-22;/h1-5,7-8,10-15,25H,6,9,16-21H2;1H

InChIKey

KBNISKYDAJMVNI-UHFFFAOYSA-N

Smiles

c1(c2c(c(=O)n(n1)[C@@H]1CC[N@@](CCc3ccccc3)CCC1)cccc2)Cc1ccc(F)cc1.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,