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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(3-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)propyl)-1,7-dimethyl-3-(2-methylpropyl)-, (E)-2-butenedioate (1:1)
RN: 90749-46-5
InChIKey: QLFVREDDFWHIRL-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H38-F2-N6-O2.C4-H4-O4

Molecular Weight

  • 680.7488
 
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Names and Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(3-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)propyl)-1,7-dimethyl-3-(2-methylpropyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 90749-46-5

System Generated Number

  • 0090749465

Molecular Formulas

Molecular Formula

  • C31-H38-F2-N6-O2.C4-H4-O4

Molecular Formula Fragments

  • C31-H38-F2-N6-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C31H38F2N6O2.C4H4O4/c1-21(2)20-39-29-28(30(40)36(4)31(39)41)35(3)26(34-29)6-5-15-37-16-18-38(19-17-37)27(22-7-11-24(32)12-8-22)23-9-13-25(33)14-10-23;5-3(6)1-2-4(7)8/h7-14,21,27H,5-6,15-20H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QLFVREDDFWHIRL-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.