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CHEBI:60918 - (2S,3R,2'S)-nadolol

ChEBI IDCHEBI:60918
ChEBI Name(2S,3R,2'S)-nadolol
Stars
ASCII Name(2S,3R,2'S)-nadolol
DefinitionAn aromatic ether, being the (2S)-3-(tert-butylamino)-2-hydroxypropyl ether of the phenolic hydroxy group of (6S,7R)-5,6,7,8-tetrahydronaphthalene-1,6,7-triol.
Last Modified10 January 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H27NO4
Net Charge0
Average Mass309.406
Monoisotopic Mass309.19401
SMILESCC(C)(C)NC[C@H](O)COc1cccc2c1C[C@@H](O)[C@@H](O)C2
InChIInChI=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
InChIKeyVWPOSFSPZNDTMJ-AEGPPILISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,2'S)-nadolol (CHEBI:60918) is a aromatic ether (CHEBI:35618)
(2S,3R,2'S)-nadolol (CHEBI:60918) is a secondary amino compound (CHEBI:50995)
(2S,3R,2'S)-nadolol (CHEBI:60918) is a triol (CHEBI:27136)
(2S,3R,2'S)-nadolol (CHEBI:60918) is enantiomer of (2R,3S,2'R)-nadolol (CHEBI:60917)
Incoming Relation(s)
nadolol (CHEBI:7444) has part (2S,3R,2'S)-nadolol (CHEBI:60918)
(2R,3S,2'R)-nadolol (CHEBI:60917) is enantiomer of (2S,3R,2'S)-nadolol (CHEBI:60918)
IUPAC Name 
(2S,3R)-5-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-1,2,3,4-tetrahydronaphthalene-2,3-diol
Synonym  Source
SQ 12150ChemIDplus
Registry NumbersSources
Reaxys:7518265Reaxys
CAS:54933-35-6ChemIDplus