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Substance Name: Siponimod fumarate [USAN]
RN: 1234627-85-0
UNII: Z7G02XZ0M6
InChIKey: JNLIKIBISICTMS-PEJBKAKVSA-N

Classification Code

  • Treatment of Secondary Progressive Multiple Sclerosis

Molecular Formula

  • 2C29-H35-F3-N2-O3.C4-H4-O4

Molecular Weight

  • 1149.2726
 
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Names and Synonyms

Name of Substance

  • Siponimod fumarate
  • Siponimod fumarate [USAN]

Synonyms

  • 3-Azetidinecarboxylic acid, 1-((4-((1E)-1-(((4-cyclohexyl-3-(trifluoromethyl)phenyl)methoxy)imino)ethyl)-2-ethylphenyl)methyl)-, (2E)-2-butenedioate (2:1)
  • NVP-BAF312-AEA
  • Siponimod fumarate
  • UNII-Z7G02XZ0M6

Registry Numbers

CAS Registry Number

  • 1234627-85-0

FDA UNII

  • Z7G02XZ0M6

System Generated Number

  • 1234627850

Structure Descriptors

InChI

InChI=1S/2C29H35F3N2O3.C4H4O4/c2*1-3-21-14-23(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;5-3(6)1-2-4(7)8/h2*9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36);1-2H,(H,5,6)(H,7,8)/b2*33-19+;2-1+

InChIKey

JNLIKIBISICTMS-PEJBKAKVSA-N

Smiles

CCc1cc(ccc1CN2CC(C2)C(=O)O)\C(=N\OCc3ccc(C4CCCCC4)c(c3)C(F)(F)F)\C.CCc5cc(ccc5CN6CC(C6)C(=O)O)\C(=N\OCc7ccc(C8CCCCC8)c(c7)C(F)(F)F)\C.OC(=O)\C=C\C(=O)O