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Substance Name: Bof 4272
RN: 142181-44-0
UNII: 2Q33D25ZXE
InChIKey: FRSOALVXQKHLLF-UHFFFAOYSA-M

Classification Code

  • Enzyme Inhibitors

Molecular Formula

  • C18-H14-N4-O3-S.Na

Molecular Weight

  • 388.382
 
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Names and Synonyms

Name of Substance

  • Bof 4272

Synonyms

  • Bof-4272
  • Sodium-8-(3-methoxy-4-phenylsulfinylphenyl)pyrazolo (1,5-a)-1,3,5-triazine-4-olate monohydrate
  • UNII-2Q33D25ZXE

Systematic Name

  • Pyrazolo(1,5-a)-1,3,5-triazin-4(1H)-one, 8-(3-methoxy-4-(phenylsulfinyl)phenyl)-, sodium salt, (+-)-

Registry Numbers

CAS Registry Number

  • 142181-44-0

FDA UNII

  • 2Q33D25ZXE

System Generated Number

  • 0142181440

Molecular Formulas

Molecular Formula

  • C18-H14-N4-O3-S.Na

Molecular Formula Fragments

  • C18-H14-N4-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H14N4O3S.Na/c1-25-15-9-12(14-10-21-22-17(14)19-11-20-18(22)23)7-8-16(15)26(24)13-5-3-2-4-6-13;/h2-11H,1H3,(H,19,20,21,23);/q;+1/p-1

InChIKey

FRSOALVXQKHLLF-UHFFFAOYSA-M

Smiles

n12c(c(c3cc(c([S@@](=O)c4ccccc4)cc3)OC)cn1)[n-]cnc2=O.[Na+]