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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H29NO2
Molecular Weight 291.4284
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Penbutolol, (+)-

SMILES

CC(C)(C)NC[C@@H](O)COC1=CC=CC=C1C2CCCC2

InChI

InChIKey=KQXKVJAGOJTNJS-OAHLLOKOSA-N
InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H29NO2
Molecular Weight 291.4284
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:21:37 GMT 2025
Edited
by admin
on Wed Apr 02 19:21:37 GMT 2025
Record UNII
3MVQ8H3X65
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Penbutolol, (+)-
Common Name English
(+)-(R)-Penbutolol
Preferred Name English
d-Penbutolol
Common Name English
(R)-Penbutolol
Common Name English
Isopenbutolol
Common Name English
(2R)-1-(2-Cyclopentylphenoxy)-3-[(1,1-dimethylethyl)amino]-2-propanol
Systematic Name English
2-Propanol, 1-(2-cyclopentylphenoxy)-3-[(1,1-dimethylethyl)amino]-, (2R)-
Systematic Name English
(+)-Penbutolol
Common Name English
(+)-Isopenbutolol
Common Name English
Code System Code Type Description
PUBCHEM
162302
Created by admin on Wed Apr 02 19:21:37 GMT 2025 , Edited by admin on Wed Apr 02 19:21:37 GMT 2025
PRIMARY
FDA UNII
3MVQ8H3X65
Created by admin on Wed Apr 02 19:21:37 GMT 2025 , Edited by admin on Wed Apr 02 19:21:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID00191720
Created by admin on Wed Apr 02 19:21:37 GMT 2025 , Edited by admin on Wed Apr 02 19:21:37 GMT 2025
PRIMARY
CAS
38363-41-6
Created by admin on Wed Apr 02 19:21:37 GMT 2025 , Edited by admin on Wed Apr 02 19:21:37 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
SALT/SOLVATE -> PARENT