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Substance Name: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
RN: 110406-53-6
InChIKey: WMXREFUOEWKVPG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H32-F-N3-O.Cl-H

Molecular Weight

  • 506.0617
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 110406-53-6

System Generated Number

  • 0110406536

Molecular Formulas

Molecular Formula

  • C30-H32-F-N3-O.Cl-H

Molecular Formula Fragments

  • C30-H32-F-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H32FN3O.ClH/c1-22-8-10-23(11-9-22)16-19-33-18-4-5-26(17-20-33)34-30(35)28-7-3-2-6-27(28)29(32-34)21-24-12-14-25(31)15-13-24;/h2-3,6-15,26H,4-5,16-21H2,1H3;1H

InChIKey

WMXREFUOEWKVPG-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)CCN2CCCC(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,