U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25F2NO4
Molecular Weight 405.435
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEXNEBIVOLOL

SMILES

[H][C@@]1(CCC2=CC(F)=CC=C2O1)[C@H](O)CNC[C@@H](O)[C@]3([H])CCC4=CC(F)=CC=C4O3

InChI

InChIKey=KOHIRBRYDXPAMZ-YHBROIRLSA-N
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+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H25F2NO4
Molecular Weight 405.435
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:00:46 UTC 2023
Edited
by admin
on Fri Dec 15 16:00:46 UTC 2023
Record UNII
I43D0296P8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEXNEBIVOLOL
INN   WHO-DD  
INN  
Official Name English
2H-1-BENZOPYRAN-2-METHANOL, .ALPHA.,.ALPHA.'-(IMINOBIS(METHYLENE))BIS(6-FLUORO-3,4-DIHYDRO-, (.ALPHA.R,.ALPHA.'R,2R,2'S)-
Systematic Name English
Dexnebivolol [WHO-DD]
Common Name English
R-67138
Code English
(S,R,R,R)-NEBIVOLOL
Common Name English
(1R)-2-(((2R)-2-((2S)-6-FLUORO-3,4-DIHYDRO-2H-CHROMEN-2-YL)-2-HYDROXYETHYL)AMINO)-1-((2R)-6-FLUORO-3,4-DIHYDRO-2H-CHROMEN-2-YL)ETHANOL
Systematic Name English
(+)-NEBIVOLOL
Common Name English
dexnebivolol [INN]
Common Name English
D-NEBIVOLOL
Common Name English
(.ALPHA.R,.ALPHA.'R,2R,2'S)-.ALPHA.,.ALPHA.'-(IMINOBIS(METHYLENE))BIS(6-FLUORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-METHANOL)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29576
Created by admin on Fri Dec 15 16:00:46 UTC 2023 , Edited by admin on Fri Dec 15 16:00:46 UTC 2023
Code System Code Type Description
CAS
118457-15-1
Created by admin on Fri Dec 15 16:00:46 UTC 2023 , Edited by admin on Fri Dec 15 16:00:46 UTC 2023
PRIMARY
SMS_ID
300000034249
Created by admin on Fri Dec 15 16:00:46 UTC 2023 , Edited by admin on Fri Dec 15 16:00:46 UTC 2023
PRIMARY
INN
8938
Created by admin on Fri Dec 15 16:00:46 UTC 2023 , Edited by admin on Fri Dec 15 16:00:46 UTC 2023
PRIMARY
NCI_THESAURUS
C90796
Created by admin on Fri Dec 15 16:00:46 UTC 2023 , Edited by admin on Fri Dec 15 16:00:46 UTC 2023
PRIMARY
PUBCHEM
189562
Created by admin on Fri Dec 15 16:00:46 UTC 2023 , Edited by admin on Fri Dec 15 16:00:46 UTC 2023
PRIMARY
FDA UNII
I43D0296P8
Created by admin on Fri Dec 15 16:00:46 UTC 2023 , Edited by admin on Fri Dec 15 16:00:46 UTC 2023
PRIMARY
CHEBI
64021
Created by admin on Fri Dec 15 16:00:46 UTC 2023 , Edited by admin on Fri Dec 15 16:00:46 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDER->LIGAND
BINDING
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
blood-to-plasma ratio PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC IN THE PM POPULATION

Tmax PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC IN THE EM POPULATION