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CHEBI:64020 - (R,S,S,S)-nebivolol

ChEBI IDCHEBI:64020
ChEBI Name(R,S,S,S)-nebivolol
Stars
ASCII Name(R,S,S,S)-nebivolol
DefinitionA 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] that has (1S,1'S,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+/m0/s1
InChIKeyKOHIRBRYDXPAMZ-YHDSQAASSA-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)
(R,S,S,S)-nebivolol (CHEBI:64020) is a 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] (CHEBI:64019)
(R,S,S,S)-nebivolol (CHEBI:64020) is conjugate base of (R,S,S,S)-nebivolol(1+) (CHEBI:132915)
(R,S,S,S)-nebivolol (CHEBI:64020) is enantiomer of (S,R,R,R)-nebivolol (CHEBI:64021)
Incoming Relation(s)
nebivolol (CHEBI:64022) has part (R,S,S,S)-nebivolol (CHEBI:64020)
(R,S,S,S)-nebivolol(1+) (CHEBI:132915) is conjugate acid of (R,S,S,S)-nebivolol (CHEBI:64020)
(S,R,R,R)-nebivolol (CHEBI:64021) is enantiomer of (R,S,S,S)-nebivolol (CHEBI:64020)
Synonyms  Source
(R,S,S,S)-nebivololChEBI
l-nebivololChEBI
(−)-SSSR-nebivololChEBI
[2R,αS,2'S,α'S]-α,α'-[imino-bis(methylene)]bis[6-fluoro-3,4-dehydro-2H-1-benzopyran-2-methanol]ChEBI
(1S,1'S)-2,2'-iminobis{1-[(2R,2'S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol}ChEBI
Registry NumbersSources
Reaxys:4789058Reaxys