| SpectraBase Spectrum ID |
I2G7NZiw3bL |
| Name |
Tadalafil |
| CAS Registry Number |
171596-29-5 |
| Classification |
Pharmaceutical drug, vasodilator |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
389.137556100 u |
| Formula |
C22H19N3O4 |
| InChI |
InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3 |
| InChIKey |
WOXKDUGGOYFFRN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
389.411 g/mol |
| Nominal Mass |
389 u |
| Quality |
976 |
| Retention Index |
3711 |
| SMILES |
C1=2C(N3C(CC2C=2C(N1)=CC=CC2)C(N(CC3=O)C)=O)C1=CC2=C(C=C1)OCO2 |
| SPLASH |
splash10-0j4r-2692000000-3edd63c0dfc524476981 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(6R,12aR)-2,3,6,7,12,12a-Hexahydro-2-methyl-6-(3,4-methylenedioxyphenyl)pyrazino- \r(1',2':1,6)pyrido(3,4-b)indole-1,4-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_023426 |
