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Substance Name: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(3-(4-methylphenyl)propyl)-1H-azepin-4-yl)-, monohydrochloride
RN: 110425-23-5
InChIKey: IGQIGMPQDQNBON-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H34-Cl-N3-O.Cl-H

Molecular Weight

  • 536.5435
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 110425-23-5

System Generated Number

  • 0110425235

Molecular Formulas

Molecular Formula

  • C31-H34-Cl-N3-O.Cl-H

Molecular Formula Fragments

  • C31-H34-Cl-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C31H34ClN3O.ClH/c1-23-10-12-24(13-11-23)6-4-19-34-20-5-7-27(18-21-34)35-31(36)29-9-3-2-8-28(29)30(33-35)22-25-14-16-26(32)17-15-25;/h2-3,8-17,27H,4-7,18-22H2,1H3;1H

InChIKey

IGQIGMPQDQNBON-UHFFFAOYSA-N

Smiles

Cl.Cc1ccc(CCCN2CCCC(CC2)N3N=C(Cc4ccc(Cl)cc4)c5ccccc5C3=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4841047,