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Substance Name: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(2-(4-methoxyphenyl)ethyl)-4-piperidinyl, monohydrochloride
RN: 110406-63-8
InChIKey: KXSHDRGGHVXZIE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H30-F-N3-O2.Cl-H

Molecular Weight

  • 508.0339
 
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Names and Synonyms

  • 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(2-(4-methoxyphenyl)ethyl)-4-piperidinyl, monohydrochloride

Registry Numbers

CAS Registry Number

  • 110406-63-8

System Generated Number

  • 0110406638

Molecular Formulas

Molecular Formula

  • C29-H30-F-N3-O2.Cl-H

Molecular Formula Fragments

  • C29-H30-F-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H30FN3O2.ClH/c1-35-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)33-29(34)27-5-3-2-4-26(27)28(31-33)20-22-6-10-23(30)11-7-22;/h2-13,24H,14-20H2,1H3;1H

InChIKey

KXSHDRGGHVXZIE-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)CCN2CCC(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,