Record Information
Version1.0
Creation date2015-10-09 22:31:20 UTC
Update date2017-01-19 02:36:28 UTC
FoodComEx IDPC000570
FoodDB RecordFDB022752
Chemical Information
NameSalbutamol
DescriptionSalbutamol or albuterol is a short-acting beta 2-adrenergic receptor agonist used for the relief of bronchospasm in conditions such as asthma. -- Pubchem [HMDB]
CAS Number18559-94-9
Structure
Thumb
Synonyms
SynonymSource
(l)-albuterolhmdb
1-(tert-butylaminomethyl)-4-hydroxy-m-xylene-alpha1,alpha3-diolhmdb
2-(tert-butylamino)-1-(4-hydroxy-3-hydroxymethylphenyl)ethanolhmdb
4-hydroxy-3-hydroxymethyl-alpha-((tert-butylamino)methyl)benzyl alcoholhmdb
Aerolinhmdb
Albuterolhmdb
Almotexhmdb
Alpha'-((tert-butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diolhmdb
Alpha(sup 1)-((tert-butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diolhmdb
Alti-salbutamolhmdb
Anebronhmdb
Arubendol-salbutamolhmdb
Asmadilhmdb
Asmanilhmdb
Asmasalhmdb
Asmatolhmdb
Asmavenhmdb
Asmidonhmdb
Asmolhmdb
Asmol uni-dosehmdb
Asthalinhmdb
Broncho-sprayhmdb
Broncovaleashmdb
Bronterhmdb
Bugonolhmdb
Bumolhmdb
Butamolhmdb
Buto-asmahmdb
Butohalerhmdb
Butotalhmdb
Butoventhmdb
Buventolhmdb
Cobutolinhmdb
Dilatamolhmdb
DL-albuterolhmdb
DL-n-tert-butyl-2-(4-hydroxy-3-hydroxymethylphenyl)-2-hydroxyethylaminehmdb
DL-salbutamolhmdb
Farcolinhmdb
Geriventhmdb
Grafalinhmdb
Levalbuterolhmdb
Libretinhmdb
Medolinhmdb
Mozalhmdb
Novosalmolhmdb
Parasmahmdb
Pneumolathmdb
Proventilhmdb
Proventil hfahmdb
Proventil inhalerhmdb
R-salbutamolhmdb
Respaxhmdb
Respolinhmdb
Sabutalhmdb
Salamolhmdb
Salbetolhmdb
Salbronhmdb
Salbu-basfhmdb
Salbu-fatolhmdb
Salbuhexalhmdb
Salbulinhmdb
Salbupurhmdb
Salbusianhmdb
Salbutalanhmdb
Salbutamol free basehmdb
Salbutamol sulfateHMDB
Salbutamol sulphatehmdb
Salbutamolumhmdb
Salbutanhmdb
Salbutolhmdb
Salbuvenhmdb
Salbuventhmdb
Sallbupphmdb
Salmaplonhmdb
Salomolhmdb
Salventhmdb
Saventolhmdb
Servitamolhmdb
Spreorhmdb
Sultanolhmdb
Sultanol nhmdb
Suprasmahmdb
Suxarhmdb
Theosalhmdb
Tobybronhmdb
Vencronylhmdb
Ventamolhmdb
Ventilanhmdb
Ventiloboihmdb
Ventodiskshmdb
Ventolinhmdb
Ventolin inhalerhmdb
Ventolin rotacapshmdb
Ventolinehmdb
Volare albuterol hfahmdb
Volare easi-breathehmdb
Volmaxhmdb
Zaperinhmdb
Chemical FormulaC13H21NO3
IUPAC name4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
InChI IdentifierInChI=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-/m0/s1
InChI KeyNDAUXUAQIAJITI-LBPRGKRZSA-N
Isomeric SMILESCC(C)(C)NC[C@H](O)C1=CC(CO)=C(O)C=C1
Average Molecular Weight239.3107
Monoisotopic Molecular Weight239.152143543
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzyl alcohols
Direct ParentBenzyl alcohols
Alternative Parents
Substituents
  • Benzyl alcohol
  • Phenol
  • Aralkylamine
  • 1-hydroxy-2-unsubstituted benzenoid
  • Secondary alcohol
  • 1,2-aminoalcohol
  • Secondary amine
  • Secondary aliphatic amine
  • Hydrocarbon derivative
  • Alcohol
  • Aromatic alcohol
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 20 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci E290
AKSci J10176
AKSci J40091
AKSci J91735
AKSci HMDB0001937
Cayman Chemical 21003
Glentham GP7722
MetaSci HMDB0001937
Toronto Research Chemicals A514501