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

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ChEBI Name (R,S,S,S)-nebivolol
ChEBI ID CHEBI:64020
ChEBI ASCII Name (R,S,S,S)-nebivolol
Definition A 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] that has (1S,1'S,2R,2'S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H25F2NO4
Net Charge 0
Average Mass 405.43500
Monoisotopic Mass 405.17516
InChI InChI=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
InChIKey KOHIRBRYDXPAMZ-YHDSQAASSA-N
SMILES [H][C@@]1(CCc2cc(F)ccc2O1)[C@@H](O)CNC[C@H](O)[C@]1([H])CCc2cc(F)ccc2O1
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 (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 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 Sources
(−)-SSSR-nebivolol ChEBI
(1S,1'S)-2,2'-iminobis{1-[(2R,2'S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol} ChEBI
(R,S,S,S)-nebivolol ChEBI
[2R,αS,2'S,α'S]-α,α'-[imino-bis(methylene)]bis[6-fluoro-3,4-dehydro-2H-1-benzopyran-2-methanol] ChEBI
l-nebivolol ChEBI
Registry Number Type Source
4789058 Reaxys Registry Number Reaxys
Last Modified
03 August 2016