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CHEBI:64021 - (S,R,R,R)-nebivolol

ChEBI IDCHEBI:64021
ChEBI Name(S,R,R,R)-nebivolol
Stars
ASCII Name(S,R,R,R)-nebivolol
DefinitionA 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] that has (1R,1'R,2R,2'S)-configuration.
Last Modified3 August 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H25F2NO4
Net Charge0
Average Mass405.441
Monoisotopic Mass405.17516
SMILES[H][C@]1([C@H](O)CNC[C@@H](O)[C@]2([H])CCc3cc(F)ccc3O2)CCc2cc(F)ccc2O1
InChIInChI=1S/C22H25F2NO4/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/t17-,18-,21-,22+/m1/s1
InChIKeyKOHIRBRYDXPAMZ-YHBROIRLSA-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)
(S,R,R,R)-nebivolol (CHEBI:64021) is a 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] (CHEBI:64019)
(S,R,R,R)-nebivolol (CHEBI:64021) is conjugate base of (S,R,R,R)-nebivolol(1+) (CHEBI:132916)
(S,R,R,R)-nebivolol (CHEBI:64021) is enantiomer of (R,S,S,S)-nebivolol (CHEBI:64020)
Incoming Relation(s)
nebivolol (CHEBI:64022) has part (S,R,R,R)-nebivolol (CHEBI:64021)
(S,R,R,R)-nebivolol(1+) (CHEBI:132916) is conjugate acid of (S,R,R,R)-nebivolol (CHEBI:64021)
(R,S,S,S)-nebivolol (CHEBI:64020) is enantiomer of (S,R,R,R)-nebivolol (CHEBI:64021)
Synonyms  Source
(S,R,R,R)-nebivololChEBI
(+)-(S,R,R,R)-nebivololChEBI
d-nebivololChEBI
[2S,αR,2'R,α'R]-α,α'-[imino-bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]ChEBI
(+)-RRRS-nebivololChEBI
(S,R,R,R)-α,α'-[iminobis(methylene)]bis(6-fluoro-3H,4H-dihydro-2H-1-benzopyran-2-methanol)ChEBI
Registry NumbersSources
Reaxys:4789057Reaxys