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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-1,3,7-trimethyl-, (E)-2-butenedioate (1:1)
RN: 90749-37-4
InChIKey: WAYPLTIPTDAZAG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H34-N6-O2.C4-H4-O4

Molecular Weight

  • 602.6882
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 90749-37-4

System Generated Number

  • 0090749374

Molecular Formulas

Molecular Formula

  • C28-H34-N6-O2.C4-H4-O4

Molecular Formula Fragments

  • C28-H34-N6-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H34N6O2.C4H4O4/c1-30-23(29-26-25(30)27(35)32(3)28(36)31(26)2)15-10-16-33-17-19-34(20-18-33)24(21-11-6-4-7-12-21)22-13-8-5-9-14-22;5-3(6)1-2-4(7)8/h4-9,11-14,24H,10,15-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

WAYPLTIPTDAZAG-WLHGVMLRSA-N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 243, 1987.