Desfluoro Nebivolol S,S,S,R Diastereomer

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26FNO4
Molecular Weight	387.4445
Optical Activity	( - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Desfluoro Nebivolol S,S,S,R Diastereomer

Structure Search

SMILES

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

InChI

InChIKey=JMAVJQLYDMPPMQ-YHDSQAASSA-N

InChI=1S/C22H26FNO4/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/t17-,18-,21-,22+/m0/s1

HIDE SMILES / InChI

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 20:12:29 GMT 2025` Edited by `admin` on `Wed Apr 02 20:12:29 GMT 2025`
Record UNII	7AAT959EBW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Desfluoro Nebivolol S,S,S,R Diastereomer

Common Name

English

(S)-1-[(S)-Chroman-2-yl]-2-({(S)-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethyl}amino)ethan-1-ol [IUPAC]

Preferred Name

English

2H-1-Benzopyran-2-methanol, ?-[[[2-(3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]amino]methyl]-6-fluoro-3,4-dihydro-, stereoisomer [INDEX-NAME]

Common Name

English

2H-1-Benzopyran-2-methanol, ?-[[[(2S)-2-[(2S)-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]amino]methyl]-6-fluoro-3,4-dihydro-, (?S,2R)-

Common Name

English

Code System Code Type Description

FDA UNII

7AAT959EBW

Created by admin on Wed Apr 02 20:12:29 GMT 2025 , Edited by admin on Wed Apr 02 20:12:29 GMT 2025

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PUBCHEM

118989981

Created by admin on Wed Apr 02 20:12:29 GMT 2025 , Edited by admin on Wed Apr 02 20:12:29 GMT 2025

PRIMARY

EPA CompTox

DTXSID70729211

Created by admin on Wed Apr 02 20:12:29 GMT 2025 , Edited by admin on Wed Apr 02 20:12:29 GMT 2025

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CAS

129101-34-4

Created by admin on Wed Apr 02 20:12:29 GMT 2025 , Edited by admin on Wed Apr 02 20:12:29 GMT 2025

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Desfluoro Nebivolol Hydrochloride S,S,S,R Diastereomer

SALT/SOLVATE -> PARENT

Amount: