Salbutamol
C₁₃H₂₁NO₃·239.310 g/mol·CID 2083
IUPAC: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
Also known as: albuterol, 18559-94-9, Ventoline, Proventil HFA, Salbutamolum (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
239.310g/mol
Exact Mass
239.152144Da
Monoisotopic Mass
239.152144Da
XLogP
0.3
Polar Surface Area
72.7Ų
Complexity
227
Formal Charge
0
H-Bond Donors
4
H-Bond Acceptors
4
Rotatable Bonds
5
Heavy Atoms
17
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 239.3 g/mol
MW ≤ 500
✓ 0.3
LogP ≤ 5
✓ 4
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH317May cause an allergic skin reaction
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
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