| SpectraBase Spectrum ID |
6xI53ZSt7Jy |
| Name |
Bisacodyl @ |
| CAS Registry Number |
603-50-9 |
| Classification |
Laxative |
| Copyright |
Copyright © 2023-2024 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 |
| SMILES |
C(c1ncccc1)(c1ccc(cc1)OC(=O)C)c1ccc(cc1)OC(=O)C |
| SPLASH |
splash10-02di-6966000000-aa48a498413030f85254 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G PAC-I U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Picosulfate-M (bis-phenol) 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_106 |
