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Substance Name: 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)
RN: 26132-68-3
InChIKey: RYXHLHJIEPGQMZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N6-O2.2C-H4-O3-S

Molecular Weight

  • 544.607
 
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Names and Synonyms

Synonym

  • 9-Methyl-2-(4-piperonyl-1-piperazinyl)-9H-purine dimethanesulfonate

Systematic Name

  • 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)

Registry Numbers

CAS Registry Number

  • 26132-68-3

System Generated Number

  • 0026132683

Molecular Formulas

Molecular Formula

  • C18-H20-N6-O2.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C18-H20-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20N6O2.2CH4O3S/c1-22-11-20-14-9-19-18(21-17(14)22)24-6-4-23(5-7-24)10-13-2-3-15-16(8-13)26-12-25-15;2*1-5(2,3)4/h2-3,8-9,11H,4-7,10,12H2,1H3;2*1H3,(H,2,3,4)

InChIKey

RYXHLHJIEPGQMZ-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.n1cn(c2nc(ncc12)N1CCN(CC1)Cc1cc2OCOc2cc1)C.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 401mg/kg (401mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 192, 1972.