SpectraBase Spectrum ID |
DlwkfGzm6gi |
Name |
Tropisetron |
CAS Registry Number |
89565-68-4 |
Classification |
5-HT3-Antagonist |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
284.152477890 u |
Formula |
C17H20N2O2 |
InChI |
InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13- |
InChIKey |
ZNRGQMMCGHDTEI-CLLJXQQHSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
284.359 g/mol |
Nominal Mass |
284 u |
Quality |
993 |
Retention Index |
2348 |
SMILES |
C1=2C(C(O[C@]3(C[C@]4(N([C@@](C3)(CC4)[H])C)[H])[H])=O)=CNC2C=CC=C1 |
SPLASH |
splash10-00ec-9810000000-6713060484d406f4c807 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate |
Technique |
GC/MS |
Wiley ID |
DD2024_004215 |