CHEBI:60922 - (2R,3S,2'S)-nadolol

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ChEBI Name (2R,3S,2'S)-nadolol ChEBI ID CHEBI:60922 ChEBI ASCII Name (2R,3S,2'S)-nadolol Definition An aromatic ether, being the (2S)-3-(tert-butylamino)-2-hydroxypropyl ether of the phenolic hydroxy group of (6R,7S)-5,6,7,8-tetrahydronaphthalene-1,6,7-triol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H27NO4 Net Charge 0 Average Mass 309.40060 Monoisotopic Mass 309.19401 InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14+,15-/m0/s1 InChIKey VWPOSFSPZNDTMJ-CFVMTHIKSA-N SMILES CC(C)(C)NC[C@H](O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing (2R,3S,2'S)-nadolol (CHEBI:60922) is a aromatic ether (CHEBI:35618) (2R,3S,2'S)-nadolol (CHEBI:60922) is a secondary amino compound (CHEBI:50995) (2R,3S,2'S)-nadolol (CHEBI:60922) is a triol (CHEBI:27136) (2R,3S,2'S)-nadolol (CHEBI:60922) is enantiomer of (2S,3R,2'R)-nadolol (CHEBI:60920) Incoming nadolol (CHEBI:7444) has part (2R,3S,2'S)-nadolol (CHEBI:60922) (2S,3R,2'R)-nadolol (CHEBI:60920) is enantiomer of (2R,3S,2'S)-nadolol (CHEBI:60922) IUPAC Name (2R,3S)-5-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-1,2,3,4-tetrahydronaphthalene-2,3-diol Registry Number Type Source 7518264 Reaxys Registry Number Reaxys Last Modified 10 January 2011