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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-8-(2-(4-(diphenylmethoxy)-1-piperidinyl)ethyl)-3-(2-methylpropyl)-, (E)-2-butenedioate (1:1)
RN: 90749-54-5
InChIKey: LETLKIBBTQFXFB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H39-N5-O3.C4-H4-O4

Molecular Weight

  • 645.7527
 
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Names and Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-8-(2-(4-(diphenylmethoxy)-1-piperidinyl)ethyl)-3-(2-methylpropyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 90749-54-5

System Generated Number

  • 0090749545

Molecular Formulas

Molecular Formula

  • C31-H39-N5-O3.C4-H4-O4

Molecular Formula Fragments

  • C31-H39-N5-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C31H39N5O3.C4H4O4/c1-22(2)21-36-29-27(30(37)34(4)31(36)38)33(3)26(32-29)17-20-35-18-15-25(16-19-35)39-28(23-11-7-5-8-12-23)24-13-9-6-10-14-24;5-3(6)1-2-4(7)8/h5-14,22,25,28H,15-21H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

LETLKIBBTQFXFB-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.