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Substance Name: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-((4-methylphenyl)methyl)-1H-azepin-4-yl)-, monohydrochloride
RN: 110406-82-1
InChIKey: ZFERZWCXKDDLAK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H30-Cl-N3-O.Cl-H

Molecular Weight

  • 508.4899
 
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Names and Synonyms

Synonym

  • 4-(p-Chlorobenzyl)-2-(hexahydro-1-(p-methylbenzyl)azepin-4-yl)-1(2H)-phthalazinone HCl

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 110406-82-1

System Generated Number

  • 0110406821

Molecular Formulas

Molecular Formula

  • C29-H30-Cl-N3-O.Cl-H

Molecular Formula Fragments

  • C29-H30-Cl-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H30ClN3O.ClH/c1-21-8-10-23(11-9-21)20-32-17-4-5-25(16-18-32)33-29(34)27-7-3-2-6-26(27)28(31-33)19-22-12-14-24(30)15-13-22;/h2-3,6-15,25H,4-5,16-20H2,1H3;1H

InChIKey

ZFERZWCXKDDLAK-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)CN2CCCC(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,