Levosalbutamol tartrateProduct ingredient for Levosalbutamol

Name
Levosalbutamol tartrate
Drug Entry
Levosalbutamol

Levosalbutamol, or levalbuterol, is a short-acting β2 adrenergic receptor agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). Salbutamol has been marketed as a racemic mixture, although beta2-agonist activity resides almost exclusively in the (R)-enantiomer. The enantioselective disposition of salbutamol and the possibility that (S)-salbutamol has adverse effects have led to the development of an enantiomerically pure (R)-salbutamol formulation known as levosalbutamol (levalbuterol).

Accession Number
DBSALT001385
Structure
Thumb
Synonyms
Levalbuterol tartrate / Levosalbutamol tartrate
UNII
ADS4I3E22M
CAS Number
661464-94-4
Weight
Average: 628.716
Monoisotopic: 628.320724994
Chemical Formula
C30H48N2O12
InChI Key
VNVNZKCCDVFGAP-FPDJQMMJSA-N
InChI
InChI=1S/2C13H21NO3.C4H6O6/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;5-1(3(7)8)2(6)4(9)10/h2*4-6,12,14-17H,7-8H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*12-;1-,2-/m001/s1
IUPAC Name
(2R,3R)-2,3-dihydroxybutanedioic acid; bis(4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol)
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)(C)NC[C@H](O)C1=CC=C(O)C(CO)=C1.CC(C)(C)NC[C@H](O)C1=CC=C(O)C(CO)=C1
External Links
ChemSpider
8524490
Predicted Properties
PropertyValueSource
Water Solubility2.15 mg/mLALOGPS
logP0.44ALOGPS
logP0.34ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)10.12ChemAxon
pKa (Strongest Basic)9.4ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area72.72 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity67.87 m3·mol-1ChemAxon
Polarizability26.85 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon