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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-(2-((4-methylphenyl)phenylmethoxy)ethyl)-1-piperazinyl)ethyl)-, dimethanesulfonate
RN: 116713-09-8
InChIKey: WCQCZKYNBCUJLZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H36-N6-O3.2C-H4-O3-S

Molecular Weight

  • 708.8536
 
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Names and Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-(2-((4-methylphenyl)phenylmethoxy)ethyl)-1-piperazinyl)ethyl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 116713-09-8

System Generated Number

  • 0116713098

Molecular Formulas

Molecular Formula

  • C29-H36-N6-O3.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C29-H36-N6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C29H36N6O3.2CH4O3S/c1-22-9-11-24(12-10-22)26(23-7-5-4-6-8-23)38-20-19-34-15-13-33(14-16-34)17-18-35-21-30-27-25(35)28(36)32(3)29(37)31(27)2;2*1-5(2,3)4/h4-12,21,26H,13-20H2,1-3H3;2*1H3,(H,2,3,4)

InChIKey

WCQCZKYNBCUJLZ-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C(c2ccccc2)OCCN3CCN(CC3)CCn4cnc5c4c(=O)n(c(=O)n5C)C.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg)   United States Patent Document. Vol. #4908365,