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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1-(2-(4-aminophenyl)ethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-propyl-
RN: 149741-43-5
InChIKey: LLGYAEHPYWPLEC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N5-O2

Molecular Weight

  • 433.5529
 
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Names and Synonyms

Synonym

  • 1-(4-Aminophenethyl)-8-(3-noradamantyl)-3-propylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1-(2-(4-aminophenyl)ethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-propyl-

Registry Numbers

CAS Registry Number

  • 149741-43-5

System Generated Number

  • 0149741435

Structure Descriptors

InChI

1S/C25H31N5O2/c1-2-8-29-21-20(22(31)30(24(29)32)9-7-15-3-5-19(26)6-4-15)27-23(28-21)25-13-16-10-17(14-25)12-18(25)11-16/h3-6,16-18H,2,7-14,26H2,1H3,(H,27,28)

InChIKey

LLGYAEHPYWPLEC-UHFFFAOYSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCc3ccc(cc3)N)[nH]c(n2)C45CC6CC(C4)CC5C6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5447933,