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CHEBI:756089 - tropantiol

Default Structure
ChEBI IDCHEBI:756089
ChEBI Nametropantiol
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC21H34ClN3S2
Net Charge0
Average Mass428.111
Monoisotopic Mass427.18827
SMILES[H][C@]12CC[C@]([H])([C@@H](CN(CCS)CCNCCS)[C@@H](c3ccc(Cl)cc3)C1)N2C
InChIInChI=1S/C21H34ClN3S2/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16/h2-5,18-21,23,26-27H,6-15H2,1H3/t18-,19+,20-,21+/m0/s1
InChIKeyHZLFSOZSLFKJKA-JSXRDJHFSA-N
ChEBI Ontology
Outgoing Relation(s)
tropantiol (CHEBI:756089) has parent hydride tropane (CHEBI:35615)
tropantiol (CHEBI:756089) is a azabicycloalkane (CHEBI:38295)