EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:135696 - altropane

ChEBI IDCHEBI:135696
ChEBI Namealtropane
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC18H21FINO2
Net Charge0
Average Mass429.273
Monoisotopic Mass429.06011
SMILESCOC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I
InChIInChI=1S/C18H21FINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14-,15+,16+,17-/m0/s1
InChIKeyGTQLIPQFXVKRKJ-UNSMHXHVSA-N
ChEBI Ontology
Outgoing Relation(s)
altropane (CHEBI:135696) has parent hydride tropane (CHEBI:35615)
altropane (CHEBI:135696) is a azabicycloalkane (CHEBI:38295)
Manual XrefsDatabases
3292DrugCentral
Registry NumbersSources
CAS:180468-34-2DrugCentral