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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1-ethyl-3-(2-methylpropyl)-, (E)-2-butenedioate (1:1)
RN: 90749-60-3
InChIKey: QRUDWKMOFSBBTP-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H40-N6-O2.C4-H4-O4

Molecular Weight

  • 644.7686
 
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Names and Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1-ethyl-3-(2-methylpropyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 90749-60-3

System Generated Number

  • 0090749603

Molecular Formulas

Molecular Formula

  • C31-H40-N6-O2.C4-H4-O4

Molecular Formula Fragments

  • C31-H40-N6-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C31H40N6O2.C4H4O4/c1-4-36-30(38)27-29(37(31(36)39)22-23(2)3)33-26(32-27)16-11-17-34-18-20-35(21-19-34)28(24-12-7-5-8-13-24)25-14-9-6-10-15-25;5-3(6)1-2-4(7)8/h5-10,12-15,23,28H,4,11,16-22H2,1-3H3,(H,32,33);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QRUDWKMOFSBBTP-WLHGVMLRSA-N

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.