CHEBI:132916 - (S,R,R,R)-nebivolol(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S,R,R,R)-nebivolol(1+)
ChEBI ID CHEBI:132916
ChEBI ASCII Name (S,R,R,R)-nebivolol(1+)
Definition An organic cation obtained by protonation of the secondary amino function of (S,R,R,R)-nebivolol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H26F2NO4
Net Charge +1
Average Mass 406.444
Monoisotopic Mass 406.18244
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/p+1/t17-,18-,21-,22+/m1/s1
InChIKey KOHIRBRYDXPAMZ-YHBROIRLSA-O
SMILES C12=CC=C(C=C1CC[C@](O2)([C@@H](C[NH2+]C[C@H]([C@@]3(OC=4C=CC(=CC4CC3)F)[H])O)O)[H])F
ChEBI Ontology
Outgoing (S,R,R,R)-nebivolol(1+) (CHEBI:132916) is a ammonium ion derivative (CHEBI:35274)
(S,R,R,R)-nebivolol(1+) (CHEBI:132916) is a organic cation (CHEBI:25697)
(S,R,R,R)-nebivolol(1+) (CHEBI:132916) is conjugate acid of (S,R,R,R)-nebivolol (CHEBI:64021)
(S,R,R,R)-nebivolol(1+) (CHEBI:132916) is enantiomer of (R,S,S,S)-nebivolol(1+) (CHEBI:132915)
Incoming (S,R,R,R)-nebivolol hydrochloride (CHEBI:132913) has part (S,R,R,R)-nebivolol(1+) (CHEBI:132916)
(S,R,R,R)-nebivolol (CHEBI:64021) is conjugate base of (S,R,R,R)-nebivolol(1+) (CHEBI:132916)
(R,S,S,S)-nebivolol(1+) (CHEBI:132915) is enantiomer of (S,R,R,R)-nebivolol(1+) (CHEBI:132916)
IUPAC Name
(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
Synonym Source
(S,R,R,R)-nebivolol cation ChEBI
Last Modified
03 August 2016