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Details

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

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

SMILES

CC(C)(C)NCC(O)COC1=CC=CC=C1C2CCCC2

InChI

InChIKey=KQXKVJAGOJTNJS-UHFFFAOYSA-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

HIDE SMILES / InChI

Molecular Formula C18H29NO2
Molecular Weight 291.4284
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:45:05 GMT 2025
Edited
by admin
on Wed Apr 02 17:45:05 GMT 2025
Record UNII
3JET4HND2G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-Isopenbutolol
Preferred Name English
Penbutolol, (±)-
Common Name English
(±)-Penbutolol
Common Name English
rac Penbutolol
Common Name English
1-(tert-Butylamino)-3-(o-cyclopentylphenoxy)propan-2-ol
Systematic Name English
1-(2-Cyclopentylphenoxy)-3-[(1,1-dimethylethyl)amino]-2-propanol
Systematic Name English
2-Propanol, 1-(2-cyclopentylphenoxy)-3-[(1,1-dimethylethyl)amino]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10860556
Created by admin on Wed Apr 02 17:45:05 GMT 2025 , Edited by admin on Wed Apr 02 17:45:05 GMT 2025
PRIMARY
CAS
36507-48-9
Created by admin on Wed Apr 02 17:45:05 GMT 2025 , Edited by admin on Wed Apr 02 17:45:05 GMT 2025
PRIMARY
FDA UNII
3JET4HND2G
Created by admin on Wed Apr 02 17:45:05 GMT 2025 , Edited by admin on Wed Apr 02 17:45:05 GMT 2025
PRIMARY
PUBCHEM
4724
Created by admin on Wed Apr 02 17:45:05 GMT 2025 , Edited by admin on Wed Apr 02 17:45:05 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE