| SpectraBase Spectrum ID |
8CKd60rryjy |
| Name |
Bisacodyl-M 2AC |
| Classification |
Laxative |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
451.163102142 u |
| Formula |
C25H25NO7 |
| InChI |
InChI=1S/C25H25NO7/c1-15(27)32-20-10-9-17(12-21(20)29-3)24(19-8-6-7-11-26-19)18-13-22(30-4)25(33-16(2)28)23(14-18)31-5/h6-14,24H,1-5H3 |
| InChIKey |
XYZCPCQQLNEXCN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
451.475 g/mol |
| SMILES |
c1c(cc(c(c1OC)OC(C)=O)OC)C(c1ccccn1)c1cc(OC)c(cc1)OC(C)=O |
| SPLASH |
splash10-0v00-2449500000-38f987ce64073767e5d3 |
| 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 |
| Synonyms |
Bisacodyl-M (trimethoxy-bis-deacetyl-) 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_3425 |
