| SpectraBase Spectrum ID |
HC7hPiT91it |
| Name |
2,4-dimethyl-3-(4-methyl-4-((S)-3-methyl-4-((S)-1-(4-(trifluoromethyl)phenyl)ethyl)piperazin-1-yl)piperidine-1-carbonyl)pyridine 1-oxide |
| Appearance |
White foam solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H37F3N4O2 |
| InChI |
InChI=1S/C28H37F3N4O2/c1-19-10-13-35(37)22(4)25(19)26(36)32-14-11-27(5,12-15-32)33-16-17-34(20(2)18-33)21(3)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20-21H,11-12,14-18H2,1-5H3/t20-,21-/m0/s1 |
| InChIKey |
RQDGBNLSKUOAJD-SFTDATJTSA-N |
| Ionization Type |
EI |
| Molecular Weight |
518.625 g/mol |
| Optical Rotation |
[a]D20 = +9.08 (c = 0.93, CHCl3) |
| SMILES |
c1(ccc(cc1)[C@@](N1CCN(C[C@@]1(C)[H])C1(CCN(CC1)C(=O)c1c(cc[n+](c1C)[O-])C)C)(C)[H])C(F)(F)F |
| SPLASH |
splash10-0ul0-0683090000-206a595d2eb62bf1e3ba |
| Source of Spectrum |
CN1696115B |
| Wiley ID |
1841687 |
