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Substance Name: 9H-Purine, 2-(4-(alpha,lapha,alpha-trifluoro-m-tolyl)-1-piperazinyl)-, bis(methanesulfonate)
RN: 37425-18-6
InChIKey: HMEOMVYRWWYLKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-F3-N6.2C-H4-O3-S

Molecular Weight

  • 540.5417
 
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Names and Synonyms

Synonym

  • 2-(4-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1-piperazinyl)-9H-purine dimethanesulfonate

Systematic Name

  • 9H-Purine, 2-(4-(alpha,lapha,alpha-trifluoro-m-tolyl)-1-piperazinyl)-, bis(methanesulfonate)

Registry Numbers

CAS Registry Number

  • 37425-18-6

System Generated Number

  • 0037425186

Molecular Formulas

Molecular Formula

  • C16-H15-F3-N6.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C16-H15-F3-N6
  • COMPONENT

Structure Descriptors

InChI

1S/C16H15F3N6.2CH4O3S/c17-16(18,19)11-2-1-3-12(8-11)24-4-6-25(7-5-24)15-20-9-13-14(23-15)22-10-21-13;2*1-5(2,3)4/h1-3,8-10H,4-7H2,(H,20,21,22,23);2*1H3,(H,2,3,4)

InChIKey

HMEOMVYRWWYLKG-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1cc(cc(c1)N2CCN(CC2)c3[nH]cc-4ncnc4n3)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo unreported 1gm/kg (1000mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 192, 1972.