| SpectraBase Spectrum ID |
Hqx3YN1GLUV |
| Name |
Bisacodyl-M (methoxy-deacetyl-) |
| Classification |
Laxative |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
349.131408092 u |
| Formula |
C21H19NO4 |
| InChI |
InChI=1S/C21H19NO4/c1-14(23)26-17-9-6-15(7-10-17)21(18-5-3-4-12-22-18)16-8-11-19(24)20(13-16)25-2/h3-13,21,24H,1-2H3 |
| InChIKey |
HOQZEMVLGNNUHM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
349.386 g/mol |
| SMILES |
c1(ccc(cc1)OC(C)=O)C(c1ccccn1)c1cc(c(O)cc1)OC |
| SPLASH |
splash10-052b-0039000000-7ae9864e3a3a0c238156 |
| 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: UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_210 |
