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| IUPAC Name: | [4-[(Z)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methanol |
| Description: | (Z)-1-(3-Ethyl-4-(hydroxymethyl)phenyl)ethanone-O-(4-cyclohexyl-3-(trifluoromethyl)benzyl) Oxime is used as a reagent in the oxidation/reductive amination reaction for the preparation of BAF312 (Siponimod)[discovery], as potent and selective S1P receptor modulator for treatment of multiple sclerosis |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C25H30F3NO2 |
| Canonical SMILES: | CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CO |
| InChI: | InChI=1S/C25H30F3NO2/c1-3-19-14-21(10-11-22(19)15-30)17(2)29-31-16-18-9-12-23(20-7-5-4-6-8-20)24(13-18)25(26,27)28/h9-14,20,30H,3-8,15-16H2,1-2H3/b29-17- |
| InChI Key: | XKEXBFZQUALQFX-RHANQZHGSA-N |
| References: | Pan, S., et al. ACS Med. Chem. Lett. 4, 333 (2013). |
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