| SpectraBase Spectrum ID |
64upDS1HPWF |
| Name |
XLR11 N-(4-hydroxypentyl) metabolite-d5 |
| Alternate Name(s) |
(1-(5-fluoro-4-hydroxypentyl)-1H-indol-3-yl-2,4,5,6,7-d5)(2,2,3,3-tetramethylcyclopropyl)methanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23D5FNO2 |
| InChI |
InChI=1S/C21H28FNO2/c1-20(2)19(21(20,3)4)18(25)16-13-23(11-7-8-14(24)12-22)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,19,24H,7-8,11-12H2,1-4H3/i5D,6D,9D,10D,13D |
| InChIKey |
MDPXVRYUGDTVIS-FOZLTFMXSA-N |
| Molecular Weight |
350.489 g/mol |
| SMILES |
OC(CCC[n]1c(c(c2c(c(c(c(c12)[2D])[2D])[2D])[2D])C(=O)C1C(C1(C)C)(C)C)[2D])CF |
| SPLASH |
splash10-0udi-4892000000-138a865c747c5780d664 |
| Source of Spectrum |
SWG-33-4340-0 |
| Wiley ID |
1810956 |
