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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-8-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-3-propyl-, (E)-2-butenedioate (1:1)
RN: 90749-51-2
InChIKey: XFSNEYACPIHMDM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H38-N6-O2.C4-H4-O4

Molecular Weight

  • 630.7418
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 90749-51-2

System Generated Number

  • 0090749512

Molecular Formulas

Molecular Formula

  • C30-H38-N6-O2.C4-H4-O4

Molecular Formula Fragments

  • C30-H38-N6-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C30H38N6O2.C4H4O4/c1-4-17-36-28-27(29(37)33(3)30(36)38)32(2)25(31-28)16-11-18-34-19-21-35(22-20-34)26(23-12-7-5-8-13-23)24-14-9-6-10-15-24;5-3(6)1-2-4(7)8/h5-10,12-15,26H,4,11,16-22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

XFSNEYACPIHMDM-WLHGVMLRSA-N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 243, 1987.