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Substance Name: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(4-methoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
RN: 110406-45-6
InChIKey: YRBTYWBAIBCYFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H32-Cl-N3-O2.Cl-H

Molecular Weight

  • 538.5157
 
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Names and Synonyms

  • 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(4-methoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 110406-45-6

System Generated Number

  • 0110406456

Molecular Formulas

Molecular Formula

  • C30-H32-Cl-N3-O2.Cl-H

Molecular Formula Fragments

  • C30-H32-Cl-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H32ClN3O2.ClH/c1-36-26-14-10-22(11-15-26)16-19-33-18-4-5-25(17-20-33)34-30(35)28-7-3-2-6-27(28)29(32-34)21-23-8-12-24(31)13-9-23;/h2-3,6-15,25H,4-5,16-21H2,1H3;1H

InChIKey

YRBTYWBAIBCYFN-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)CCN2CCCC(CC2)n3c(=O)c4ccccc4c(n3)Cc5ccc(cc5)Cl.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,