Siponimod

CAS Registry Number®

1230487-00-9
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CAS Name

Siponimod

Molecular Formula

C29H35F3N2O3

Molecular Mass

516.59

Cite this Page

Siponimod.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1230487-00-9 (retrieved 2024-04-24) (CAS RN: 1230487-00-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=KIHYPELVXPAIDH-HNSNBQBZSA-N

SMILES

C(F)(F)(F)C1=C(C=CC(CO/N=C(\C)/C2=CC(CC)=C(CN3CC(C(O)=O)C3)C=C2)=C1)C4CCCCC4

Canonical SMILES

O=C(O)C1CN(CC2=CC=C(C=C2CC)C(=NOCC3=CC=C(C(=C3)C(F)(F)F)C4CCCCC4)C)C1

Other Names for this Substance

  • 3-Azetidinecarboxylic acid, 1-[[4-[(1E)-1-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-
  • 1-[[4-[(1E)-1-[[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-3-azetidinecarboxylic acid
  • Siponimod
  • BAF 312
  • 1-(4-[1-[(E)-4-Cyclohexyl-3-trifluoromethyl-benzyloxyimino]-ethyl]-2-ethyl-benzyl)-azetidine-3-carboxylic acid

Deleted or Replaced CAS Registry Numbers

1220909-40-9

CAS INSIGHTSTM
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