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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)-3-(phenylmethyl)-
RN: 110480-49-4
InChIKey: NJJWIUQLCGGGIK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H32-N6-O2

Molecular Weight

  • 520.6338
 
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Names and Synonyms

Synonym

  • BRN 5683788

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 110480-49-4

System Generated Number

  • 0110480494

Structure Descriptors

InChI

1S/C31H32N6O2/c38-30-27-29(37(31(39)34-30)22-23-10-4-1-5-11-23)33-26(32-27)16-17-35-18-20-36(21-19-35)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,28H,16-22H2,(H,32,33)(H,34,38,39)

InChIKey

NJJWIUQLCGGGIK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)Cn2c3c(c(=O)[nH]c2=O)[nH]c(n3)CCN4CCN(CC4)C(c5ccccc5)c6ccccc6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3200mg/kg (3200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 243, 1987.