CHEBI:135696 - altropane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name altropane
ChEBI ID CHEBI:135696
Stars This entity has been manually annotated by a third party.
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Formula C18H21FINO2
Net Charge 0
Average Mass 429.268
Monoisotopic Mass 429.06010
InChI InChI=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
InChIKey GTQLIPQFXVKRKJ-UNSMHXHVSA-N
SMILES C(OC)(=O)[C@@H]1[C@@H]2N(C/C=C/I)[C@H](C[C@@H]1C3=CC=C(C=C3)F)CC2
ChEBI Ontology
Outgoing altropane (CHEBI:135696) has parent hydride tropane (CHEBI:35615)
altropane (CHEBI:135696) is a azabicycloalkane (CHEBI:38295)
Manual Xref Database
3292 DrugCentral
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Registry Number Type Source
180468-34-2 CAS Registry Number DrugCentral
Last Modified
23 February 2017