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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H21NO3
Molecular Weight 239.3107
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Albuterol, S-Enantiomer

SMILES

CC(C)(C)NC[C@@H](O)C1=CC(CO)=C(O)C=C1

InChI

InChIKey=NDAUXUAQIAJITI-GFCCVEGCSA-N
InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H21NO3
Molecular Weight 239.3107
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 Sat Dec 16 20:18:05 UTC 2023
Edited
by admin
on Sat Dec 16 20:18:05 UTC 2023
Record UNII
5F9MRH56GE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Albuterol, S-Enantiomer
Common Name English
(S)-Albuterol
Common Name English
1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, (S)-
Systematic Name English
m-Xylene-α,α′-diol, α1-[(tert-butylamino)methyl]-4-hydroxy-, (S)-(+)-
Common Name English
(+)-Salbutamol
Common Name English
S-(+)-Albuterol
Common Name English
1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, (α1S)-
Systematic Name English
(α1S)-α1-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol
Systematic Name English
Code System Code Type Description
CAS
34271-50-6
Created by admin on Sat Dec 16 20:18:05 UTC 2023 , Edited by admin on Sat Dec 16 20:18:05 UTC 2023
PRIMARY
PUBCHEM
182176
Created by admin on Sat Dec 16 20:18:05 UTC 2023 , Edited by admin on Sat Dec 16 20:18:05 UTC 2023
PRIMARY
FDA UNII
5F9MRH56GE
Created by admin on Sat Dec 16 20:18:05 UTC 2023 , Edited by admin on Sat Dec 16 20:18:05 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> INHIBITOR
Inhibits levoalbuterol sulfate formation when administered as a racemate.
COMPETITIVE INHIBITOR
METABOLIC ENZYME -> SUBSTRATE
Metabolized at a rate of 12 fold less than levoalbuterol.
RACEMATE -> INACTIVE ENANTIOMER
Related Record Type Details
METABOLITE -> PARENT