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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-, dimethanesulfonate
RN: 116713-03-2
InChIKey: AIJUVHCYGIQDJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H34-N6-O3.2C-H4-O3-S

Molecular Weight

  • 694.8268
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 116713-03-2

System Generated Number

  • 0116713032

Molecular Formulas

Molecular Formula

  • C28-H34-N6-O3.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C28-H34-N6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H34N6O3.2CH4O3S/c1-30-26-24(27(35)31(2)28(30)36)34(21-29-26)18-17-32-13-15-33(16-14-32)19-20-37-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23;2*1-5(2,3)4/h3-12,21,25H,13-20H2,1-2H3;2*1H3,(H,2,3,4)

InChIKey

AIJUVHCYGIQDJD-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCN3CCN(CC3)CCOC(c4ccccc4)c5ccccc5.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg)   United States Patent Document. Vol. #4908365,