| SpectraBase Spectrum ID |
JGsJQfCLHFY |
| Name |
Setipiprant ME |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
416.153620704 u |
| Formula |
C25H21FN2O3 |
| InChI |
InChI=1S/C25H21FN2O3/c1-31-24(29)15-28-22-10-9-17(26)13-20(22)21-14-27(12-11-23(21)28)25(30)19-8-4-6-16-5-2-3-7-18(16)19/h2-10,13H,11-12,14-15H2,1H3 |
| InChIKey |
FRRMUJWVQLYKTM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
416.452 g/mol |
| Nominal Mass |
416 u |
| Quality |
986 |
| Retention Index |
3299 |
| SMILES |
C12=C(N(C=3C2=CC(=CC3)F)CC(OC)=O)CCN(C(C=2C3=C(C=CC2)C=CC=C3)=O)C1 |
| SPLASH |
splash10-06vi-0940100000-6936feddf7c185f59498 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl-2-[8-Fluoro-2-(naphthalene-1-carbonyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5yl]acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027492 |
