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Substance Name: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(2-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, monohydrochloride
RN: 110406-49-0
InChIKey: DMAIOTBMNKERIG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H31-Cl-F-N3-O.Cl-H

Molecular Weight

  • 540.5068
 
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Names and Synonyms

  • 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(2-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 110406-49-0

System Generated Number

  • 0110406490

Molecular Formulas

Molecular Formula

  • C30-H31-Cl-F-N3-O.Cl-H

Molecular Formula Fragments

  • C30-H31-Cl-F-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H31ClFN3O.ClH/c31-24-15-13-22(14-16-24)21-29-26-10-2-3-11-27(26)30(36)35(33-29)25-9-6-19-34(20-17-25)18-5-8-23-7-1-4-12-28(23)32;/h1-4,7,10-16,25H,5-6,8-9,17-21H2;1H

InChIKey

DMAIOTBMNKERIG-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)CCCN2CCCC(CC2)n3c(=O)c4ccccc4c(n3)Cc5ccc(cc5)Cl)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,