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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26FNO4.ClH
Molecular Weight 423.905
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Desfluoro Nebivolol Hydrochloride S,S,S,R Diastereomer

SMILES

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

InChI

InChIKey=JQSHBIMNTXOZAO-BIISKSHESA-N
InChI=1S/C22H26FNO4.ClH/c23-16-7-10-20-15(11-16)6-9-22(28-20)18(26)13-24-12-17(25)21-8-5-14-3-1-2-4-19(14)27-21;/h1-4,7,10-11,17-18,21-22,24-26H,5-6,8-9,12-13H2;1H/t17-,18-,21-,22+;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H26FNO4
Molecular Weight 387.4445
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 Wed Apr 02 18:59:07 GMT 2025
Edited
by admin
on Wed Apr 02 18:59:07 GMT 2025
Record UNII
CX6H23EQY3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(<I>S</I>)-1-[(<I>S</I>)-Chroman-2-yl]-2-({(<I>S</I>)-2-[(<I>R</I>)-6-fluorochroman-2-yl]-2-hydroxyethyl}amino)ethan-1-ol hydrochloride [IUPAC]
Preferred Name English
Desfluoro Nebivolol Hydrochloride S,S,S,R Diastereomer
Common Name English
2<I>H</I>-1-Benzopyran-2-methanol, ?-[[[(2<I>S</I>)-2-[(2<I>S</I>)-3,4-dihydro-2<I>H</I>-1-benzopyran-2-yl]-2-hydroxyethyl]amino]methyl]-6-fluoro-3,4-dihydro-, hydrochloride (1:1), (?<I>S</I>,2<I>R</I>)- [INDEX-NAME]
Common Name English
Code System Code Type Description
CAS
1696430-24-6
Created by admin on Wed Apr 02 18:59:07 GMT 2025 , Edited by admin on Wed Apr 02 18:59:07 GMT 2025
PRIMARY
FDA UNII
CX6H23EQY3
Created by admin on Wed Apr 02 18:59:07 GMT 2025 , Edited by admin on Wed Apr 02 18:59:07 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE