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Substance Name: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(phenylmethyl)-1H-azepin-4-yl)-, monohydrochloride
RN: 110406-31-0
InChIKey: AQPUSMWMLKVTER-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H28-F-N3-O.Cl-H

Molecular Weight

  • 478.0081
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 110406-31-0

System Generated Number

  • 0110406310

Molecular Formulas

Molecular Formula

  • C28-H28-F-N3-O.Cl-H

Molecular Formula Fragments

  • C28-H28-F-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H28FN3O.ClH/c29-23-14-12-21(13-15-23)19-27-25-10-4-5-11-26(25)28(33)32(30-27)24-9-6-17-31(18-16-24)20-22-7-2-1-3-8-22;/h1-5,7-8,10-15,24H,6,9,16-20H2;1H

InChIKey

AQPUSMWMLKVTER-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCCC(CC2)n3c(=O)c4ccccc4c(n3)Cc5ccc(cc5)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,