| SpectraBase Spectrum ID |
1WIatblXV2 |
| Name |
Perhexiline-M (di-HO-) 3AC |
| Classification |
Ca Antagonist |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
435.298473419 u |
| Formula |
C25H41NO5 |
| InChI |
InChI=1S/C25H41NO5/c1-17(27)26-15-5-4-6-22(26)16-25(20-7-11-23(12-8-20)30-18(2)28)21-9-13-24(14-10-21)31-19(3)29/h20-25H,4-16H2,1-3H3 |
| InChIKey |
SYXQXUGUXRHGHT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
435.605 g/mol |
| SMILES |
C1CC(CCC1OC(C)=O)C(C1CCC(CC1)OC(C)=O)CC1N(CCCC1)C(C)=O |
| SPLASH |
splash10-0059-7900000000-147ad1730ff2a06a13c0 |
| 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_3401 |
