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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(bis(4-fluorophenyl)methyl)-1-piperidinyl)ethyl)-1-methyl-3-(2-methylpropyl)-
RN: 110480-58-5
InChIKey: UTYGNRPYQWQSBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H35-F2-N5-O2

Molecular Weight

  • 535.6355
 
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Names and Synonyms

Synonym

  • BRN 5683847

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(bis(4-fluorophenyl)methyl)-1-piperidinyl)ethyl)-1-methyl-3-(2-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 110480-58-5

System Generated Number

  • 0110480585

Structure Descriptors

InChI

1S/C30H35F2N5O2/c1-19(2)18-37-28-27(29(38)35(3)30(37)39)33-25(34-28)14-17-36-15-12-22(13-16-36)26(20-4-8-23(31)9-5-20)21-6-10-24(32)11-7-21/h4-11,19,22,26H,12-18H2,1-3H3,(H,33,34)

InChIKey

UTYGNRPYQWQSBQ-UHFFFAOYSA-N

Smiles

CC(C)Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)CCN3CCC(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 243, 1987.