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rac Albuterol

CAT: 0572-TRC-A514501-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A514501-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18559-94-9
Synonyms
m-Xylene-α,α'-diol, α1-[(tert-butylamino)methyl]-4-hydroxy- (8CI); (±)-Albuterol; (±)-Salbutamol; 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-α1,α3-diol; 2-(tert-Butylamino)-1-[(4-hydroxy-3-hydroxymethyl)phenyl]ethanol; 4-Hydroxy-3-(hydroxymethyl)-α-[[(1,1-dimethylethyl)amino]methyl]benzenemethanol; AH 3365; Airomir; Albuterol; DL-N-tert-Butyl-2(4-hydroxy-3-hydroxymethylphenyl)2-hydroxyethylamine; Eolene; Etinoline; Proventil HFA; Proventil Inhaler; Sabumol; Salamol EB; Salbutamol; Saventol; Spreor; Sultanol; Sultanol N; Ventalin Inhaler; Ventolin; Ventoline; Volmax; dl-Albuterol; dl-Salbutamol; m-Xylene α,α'-diol, α-[(tert-butylamino)methyl]-4-hydroxy-; α1-tert-Butylaminomethyl-4-hydroxy-m-xylene-α1,α3-diol; AH 3365; Albuterol; Salbutamol base; Chloro Albuterone; Methoxymethyl
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Molecular Formula
C13 H21 N O3
Molecular Weight
239.31
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
Additionnal Information
IUPAC name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Salbutamol

Albuterol is a member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). It has a role as a beta-adrenergic agonist, a bronchodilator agent, a xenobiotic and an environmental contaminant. It is a member of phenylethanolamines, a member of phenols and a secondary amino compound.

CAS Number18559-94-9
PubChem CID2083
IUPAC Name4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
Molecular FormulaC13H21NO3
Molecular Weight239.31
XLogP0.3
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity227
SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O
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
InChIKey
NDAUXUAQIAJITI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Salbutamol
CAS: 18559-94-9
CID: 2083
Formula: C13H21NO3
MW: 239.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.31
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass239.15214353
Monoisotopic Mass239.15214353
Topological Polar Surface Area72.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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