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CHEBI:132913 - (S,R,R,R)-nebivolol hydrochloride

ChEBI IDCHEBI:132913
ChEBI Name(S,R,R,R)-nebivolol hydrochloride
Stars
ASCII Name(S,R,R,R)-nebivolol hydrochloride
DefinitionA hydrochloride obtained by reaction of (S,R,R,R)-nebivolol with one equivalent of hydrochloric acid.
Last Modified3 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC22H25F2NO4.HCl
Net Charge0
Average Mass441.902
Monoisotopic Mass441.15184
SMILESCl.[H][C@]1([C@H](O)CNC[C@@H](O)[C@]2([H])CCc3cc(F)ccc3O2)CCc2cc(F)ccc2O1
InChIInChI=1S/C22H25F2NO4.ClH/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22;/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2;1H/t17-,18-,21-,22+;/m1./s1
InChIKeyJWEXHQAEWHKGCW-VCVZPGOSSA-N
ChEBI Ontology
Outgoing Relation(s)
(S,R,R,R)-nebivolol hydrochloride (CHEBI:132913) has part (S,R,R,R)-nebivolol(1+) (CHEBI:132916)
(S,R,R,R)-nebivolol hydrochloride (CHEBI:132913) is a hydrochloride (CHEBI:36807)
(S,R,R,R)-nebivolol hydrochloride (CHEBI:132913) is enantiomer of (R,S,S,S)-nebivolol hydrochloride (CHEBI:132914)
Incoming Relation(s)
nebivolol hydrochloride (CHEBI:132912) has part (S,R,R,R)-nebivolol hydrochloride (CHEBI:132913)
(R,S,S,S)-nebivolol hydrochloride (CHEBI:132914) is enantiomer of (S,R,R,R)-nebivolol hydrochloride (CHEBI:132913)
IUPAC Names 
(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-({(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl}amino)ethan-1-ol hydrochloride
(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-N-{(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl}-2-hydroxyethan-1-aminium chloride
Synonym  Source
(S,R,R,R)-nebivolol monohydrochlorideChEBI
Registry NumbersSources
Reaxys:4790733Reaxys