| SpectraBase Spectrum ID |
GV1E3kb90nQ |
| Name |
Bisacodyl |
| CAS Registry Number |
603-50-9 |
| Classification |
Pharmaceutical drug, laxative |
| Comments |
Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
361.131408092 u |
| Formula |
C22H19NO4 |
| InChI |
InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3 |
| InChIKey |
KHOITXIGCFIULA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
361.397 g/mol |
| Nominal Mass |
361 u |
| Quality |
933 |
| Retention Index |
2820 |
| SMILES |
C(C=1C=CC(=CC1)OC(=O)C)(C1=NC=CC=C1)C1=CC=C(C=C1)OC(=O)C |
| SPLASH |
splash10-0400-0589000000-56e6886b10b23a31d155 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Bisacodil
Bisacodile
Bisacodilo
[4-[(4-Acetyloxyphenyl)pyridin-2-yl-methyl]phenyl] acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006205 |
