SpectraBase Spectrum ID |
5VmF6zGhbUW |
Name |
Granisetron |
CAS Registry Number |
109889-09-0 |
Classification |
Pharmaceutical drug, antiemetic |
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 |
Chemical Ionization (CI) |
Molecular Weight |
312.417 g/mol |
Nominal Mass |
312 u |
Reagent Gas |
Methane |
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 |
splash10-03dr-2907000000-871b9be9d2f4d7e4e40c |
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_001577 |