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Substance Name: 1H-Azepine, hexahydro-4-(4-((4-chlorophenyl)methyl)-1-oxo-2(1H)-phthalazinyl)-1-(1-oxo-3-phenyl-2-propenyl)-
RN: 110406-35-4
InChIKey: GFJZBTPRSQJTET-SAPNQHFASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H28-Cl-N3-O2

Molecular Weight

  • 498.0232
 
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Names and Synonyms

  • 1H-Azepine, hexahydro-4-(4-((4-chlorophenyl)methyl)-1-oxo-2(1H)-phthalazinyl)-1-(1-oxo-3-phenyl-2-propenyl)-

Registry Numbers

CAS Registry Number

  • 110406-35-4

System Generated Number

  • 0110406354

Structure Descriptors

InChI

1S/C30H28ClN3O2/c31-24-15-12-23(13-16-24)21-28-26-10-4-5-11-27(26)30(36)34(32-28)25-9-6-19-33(20-18-25)29(35)17-14-22-7-2-1-3-8-22/h1-5,7-8,10-17,25H,6,9,18-21H2/b17-14+

InChIKey

GFJZBTPRSQJTET-SAPNQHFASA-N

Smiles

c1ccc(cc1)/C=C/C(=O)N2CCCC(CC2)n3c(=O)c4ccccc4c(n3)Cc5ccc(cc5)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,