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Substance Name: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(3-phenylpropyl)-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)
RN: 110406-46-7
InChIKey: MMEXHXQMSBROSR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H32-Cl-N3-O.Cl-H.H2-O

Molecular Weight

  • 522.5167
 
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Names and Synonyms

  • 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(3-phenylpropyl)-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 110406-46-7

System Generated Number

  • 0110406467

Molecular Formulas

Molecular Formula

  • C30-H32-Cl-N3-O.Cl-H.H2-O

Molecular Formula Fragments

  • C30-H32-Cl-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C30H32ClN3O.ClH/c31-25-16-14-24(15-17-25)22-29-27-12-4-5-13-28(27)30(35)34(32-29)26-11-7-20-33(21-18-26)19-6-10-23-8-2-1-3-9-23;/h1-5,8-9,12-17,26H,6-7,10-11,18-22H2;1H

InChIKey

MMEXHXQMSBROSR-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCCN2CCCC(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,