| SpectraBase Spectrum ID |
KUQweMR7IXU |
| Name |
Pentoxyverine-M 3AC |
| Classification |
Antitussive |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
463.220617019 u |
| Formula |
C24H33NO8 |
| InChI |
InChI=1S/C24H33NO8/c1-5-25(17(2)26)12-13-30-14-15-31-23(29)24(10-6-7-11-24)20-8-9-21(32-18(3)27)22(16-20)33-19(4)28/h8-9,16H,5-7,10-15H2,1-4H3 |
| InChIKey |
HEGMLFNYQFWCSS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
463.527 g/mol |
| SMILES |
C1CC(CC1)(c1cc(c(cc1)OC(=O)C)OC(C)=O)C(OCCOCCN(CC)C(C)=O)=O |
| SPLASH |
splash10-115c-3911000000-1de41c1d3d8b2c515099 |
| 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 U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Pentoxyverine-M (deethyl-di-HO-) 3AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6487 |
