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Substance Name: 1(2H)-Phthalazinone, 4-((3,4-dichlorophenyl)methyl)-2-(hexahydro-1-(phenylmethyl)-1H-azepin-4-yl)-
RN: 110406-77-4
InChIKey: ZJUOVQODRAFHLJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H27-Cl2-N3-O

Molecular Weight

  • 492.4473
 
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Names and Synonyms

Synonym

  • 4-(3,4-Dichlorobenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1(2H)-phthalazinone

Systematic Name

  • 1(2H)-Phthalazinone, 4-((3,4-dichlorophenyl)methyl)-2-(hexahydro-1-(phenylmethyl)-1H-azepin-4-yl)-

Registry Numbers

CAS Registry Number

  • 110406-77-4

System Generated Number

  • 0110406774

Structure Descriptors

InChI

1S/C28H27Cl2N3O/c29-25-13-12-21(17-26(25)30)18-27-23-10-4-5-11-24(23)28(34)33(31-27)22-9-6-15-32(16-14-22)19-20-7-2-1-3-8-20/h1-5,7-8,10-13,17,22H,6,9,14-16,18-19H2

InChIKey

ZJUOVQODRAFHLJ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCCC(CC2)n3c(=O)c4ccccc4c(n3)Cc5ccc(c(c5)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,