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Substance Name: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)-4-piperidinyl-, monohydrochloride
RN: 110406-61-6
InChIKey: XMQKPFULKZHAED-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H29-F2-N3-O.Cl-H

Molecular Weight

  • 510.025
 
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Names and Synonyms

  • 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)-4-piperidinyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 110406-61-6

System Generated Number

  • 0110406616

Molecular Formulas

Molecular Formula

  • C29-H29-F2-N3-O.Cl-H

Molecular Formula Fragments

  • C29-H29-F2-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H29F2N3O.ClH/c30-23-11-7-21(8-12-23)4-3-17-33-18-15-25(16-19-33)34-29(35)27-6-2-1-5-26(27)28(32-34)20-22-9-13-24(31)14-10-22;/h1-2,5-14,25H,3-4,15-20H2;1H

InChIKey

XMQKPFULKZHAED-UHFFFAOYSA-N

Smiles

c1(Cc2c3c(c(=O)n(n2)C2CCN(CCCc4ccc(F)cc4)CC2)cccc3)ccc(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,