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Substance Name: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride
RN: 110406-32-1
InChIKey: WXOUCXBHYHOTRB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H26-F-N3-O.Cl-H

Molecular Weight

  • 427.9483
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 110406-32-1

System Generated Number

  • 0110406321

Molecular Formulas

Molecular Formula

  • C24-H26-F-N3-O.Cl-H

Molecular Formula Fragments

  • C24-H26-F-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H26FN3O.ClH/c1-2-14-27-15-5-6-20(13-16-27)28-24(29)22-8-4-3-7-21(22)23(26-28)17-18-9-11-19(25)12-10-18;/h2-4,7-12,20H,1,5-6,13-17H2;1H

InChIKey

WXOUCXBHYHOTRB-UHFFFAOYSA-N

Smiles

C=CCN1CCCC(CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)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,