| SpectraBase Spectrum ID |
9GFQ73gdLBf |
| Name |
Granisetron |
| CAS Registry Number |
109889-09-0 |
| Classification |
Serotonin antagonist |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
312.195011408 u |
| Formula |
C18H24N4O |
| InChI |
InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14- |
| InChIKey |
MFWNKCLOYSRHCJ-BTTYYORXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
312.417 g/mol |
| SMILES |
[C@]1(C[C@]2(N([C@](CCC2)(C1)[H])C)[H])(NC(c1n[n](c2c1cccc2)C)=O)[H] |
| SPLASH |
splash10-0002-9600000000-ff860334e1c030b0551e |
| 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: P U UHY 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_3185 |
