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Substance Name: Siponimod [INN]
RN: 1230487-00-9
UNII: RR6P8L282I
InChIKey: KIHYPELVXPAIDH-HNSNBQBZSA-N

Molecular Formula

  • C29-H35-F3-N2-O3

Molecular Weight

  • 516.6005
 
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Names and Synonyms

Name of Substance

  • Siponimod [INN]

Synonyms

  • 1-((4-((1E)-1-(((4-Cyclohexyl- 3-(trifluoromethyl)phenyl)methoxy)imino)ethyl)- 2-ethylphenyl)methyl)azetidine-3-carboxylic acid
  • 3-Azetidinecarboxylic acid, 1-((4-((1E)-1-(((4-cyclohexyl-3-(trifluoromethyl)phenyl)methoxy)imino)ethyl)-2-ethylphenyl)methyl)-
  • BAF 312
  • BAF-312
  • BAF312
  • Siponimod
  • Siponimod [INN]
  • Siponimod [WHO-DD]
  • UNII-RR6P8L282I

Registry Numbers

CAS Registry Number

  • 1230487-00-9

FDA UNII

  • RR6P8L282I

Other Registry Number

  • 1220909-40-9

System Generated Number

  • 1230487009

Structure Descriptors

InChI

1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+

InChIKey

KIHYPELVXPAIDH-HNSNBQBZSA-N

Smiles

CCc1cc(ccc1CN2CC(C2)C(=O)O)/C(=N/OCc3ccc(c(c3)C(F)(F)F)C4CCCCC4)/C