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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-3-(2-methylpropyl)-
RN: 110480-53-0
InChIKey: XJJXMVYWAQSQQF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H34-N6-O3

Molecular Weight

  • 502.6156
 
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Names and Synonyms

Synonym

  • BRN 5683332

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-3-(2-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 110480-53-0

System Generated Number

  • 0110480530

Structure Descriptors

InChI

1S/C28H34N6O3/c1-19(2)17-34-26-23(27(36)31-28(34)37)29-25(30-26)22(35)18-32-13-15-33(16-14-32)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22,24,35H,13-18H2,1-2H3,(H,29,30)(H,31,36,37)

InChIKey

XJJXMVYWAQSQQF-UHFFFAOYSA-N

Smiles

CC(C)Cn1c2c(c(=O)[nH]c1=O)[nH]c(n2)C(CN3CCN(CC3)C(c4ccccc4)c5ccccc5)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1600mg/kg (1600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 243, 1987.