| SpectraBase Spectrum ID |
BPVUBFe1vJh |
| Name |
Bisacodyl-M |
| Classification |
Laxative |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
379.141972775 u |
| Formula |
C22H21NO5 |
| InChI |
InChI=1S/C22H21NO5/c1-14(24)28-19-10-8-16(13-21(19)27-3)22(17-6-4-5-11-23-17)15-7-9-18(25)20(12-15)26-2/h4-13,22,25H,1-3H3 |
| InChIKey |
LKTXEORBBVEAEN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
379.412 g/mol |
| SMILES |
c1(C(c2ccc(c(c2)OC)OC(C)=O)c2ccccn2)cc(c(cc1)O)OC |
| SPLASH |
splash10-004i-0019000000-041e8de442ead6065791 |
| 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: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Bisacodyl-M (bis-methoxy-deacetyl-) |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2457 |
