| SpectraBase Spectrum ID |
2o0Ka5yaOAq |
| Name |
Pagoclone |
| Classification |
Pharmaceutical drug, anxiolytic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
407.140054658 u |
| Formula |
C23H22ClN3O2 |
| InChI |
InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)27(19)21-12-9-15-8-11-20(24)25-22(15)26-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3 |
| InChIKey |
HIUPRQPBWVEQJJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
407.901 g/mol |
| Nominal Mass |
407 u |
| Quality |
959 |
| Retention Index |
3471 |
| SMILES |
C1(N(C(C=2C1=CC=CC2)=O)C1=NC2=C(C=C1)C=CC(=N2)Cl)CC(CCC(C)C)=O |
| SPLASH |
splash10-0bt9-1649000000-0116fbeb336f0b5b7766 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(7-Chloro-1,8-naphthyridin-2-yl)-2,3-dihydro-3-(5-methyl-2-oxohexyl)-1H-isoindol-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027338 |
