| SpectraBase Spectrum ID |
5ZSL1niiFma |
| Name |
Granisetron |
| CAS Registry Number |
109889-09-0 |
| Classification |
Pharmaceutical drug, antiemetic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and 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-ZSOGYDGISA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
312.417 g/mol |
| Nominal Mass |
312 u |
| Quality |
994 |
| Retention Index |
2682 |
| SMILES |
C=1(C=2C(N(N1)C)=CC=CC2)C(N[C@]1(C[C@@]2(N([C@](C1)(CCC2)[H])C)[H])[H])=O |
| SPLASH |
splash10-0002-9501000000-22a9318aa93b01ab28da |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-1H-indazole-3-carboxamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001576 |
