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Substance Name: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
RN: 110406-83-2
InChIKey: SRFPVPHEVAOIQS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H29-F4-N3-O.Cl-H

Molecular Weight

  • 560.032
 
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Names and Synonyms

  • 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 110406-83-2

System Generated Number

  • 0110406832

Molecular Formulas

Molecular Formula

  • C30-H29-F4-N3-O.Cl-H

Molecular Formula Fragments

  • C30-H29-F4-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H29F4N3O.ClH/c31-24-12-10-22(11-13-24)20-28-26-8-1-2-9-27(26)29(38)37(35-28)25-7-4-16-36(18-15-25)17-14-21-5-3-6-23(19-21)30(32,33)34;/h1-3,5-6,8-13,19,25H,4,7,14-18,20H2;1H

InChIKey

SRFPVPHEVAOIQS-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(nn(c2=O)C3CCCN(CC3)CCc4cccc(c4)C(F)(F)F)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,