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Substance Name: Pyrimidine, 5-(m-(chlorodifluoromethoxy)benzyl)-2,4-diamino-, dimethanesulfonate
RN: 50824-02-7
InChIKey: HZXQXXBBGMCJSI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-Cl-F2-N4-O.2C-H4-O3-S

Molecular Weight

  • 492.9061
 
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Names and Synonyms

Synonyms

  • 2,4-Pyrimidinediamine, 5-((3-(chlorodifluoromethoxy)phenyl)methyl)-, dimethanesulfonate
  • 5-(m-(Chlorodifluoromethoxy)benzyl)-2,4-diamino-pyrimidine dimethanesulfonate

Systematic Name

  • Pyrimidine, 5-(m-(chlorodifluoromethoxy)benzyl)-2,4-diamino-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 50824-02-7

System Generated Number

  • 0050824027

Molecular Formulas

Molecular Formula

  • C12-H11-Cl-F2-N4-O.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C12-H11-Cl-F2-N4-O
  • COMPONENT

Structure Descriptors

InChI

1S/C12H11ClF2N4O.2CH4O3S/c13-12(14,15)20-9-3-1-2-7(5-9)4-8-6-18-11(17)19-10(8)16;2*1-5(2,3)4/h1-3,5-6H,4H2,(H4,16,17,18,19);2*1H3,(H,2,3,4)

InChIKey

HZXQXXBBGMCJSI-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1cc(cc(c1)OC(F)(F)Cl)Cc2cnc(nc2N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1399, 1973.