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Substance Name: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(3-(4-methoxyphenyl)propyl)-1H-azepin-4-yl)-, monohydrochloride
RN: 110406-47-8
InChIKey: GOADGXXQRDFRPP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H34-Cl-N3-O2.Cl-H

Molecular Weight

  • 552.5425
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 110406-47-8

System Generated Number

  • 0110406478

Molecular Formulas

Molecular Formula

  • C31-H34-Cl-N3-O2.Cl-H

Molecular Formula Fragments

  • C31-H34-Cl-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H34ClN3O2.ClH/c1-37-27-16-12-23(13-17-27)6-4-19-34-20-5-7-26(18-21-34)35-31(36)29-9-3-2-8-28(29)30(33-35)22-24-10-14-25(32)15-11-24;/h2-3,8-17,26H,4-7,18-22H2,1H3;1H

InChIKey

GOADGXXQRDFRPP-UHFFFAOYSA-N

Smiles

COc1ccc(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,