68H

SALBUTAMOL

Created:	2010-11-30
Last modified:	2011-06-04

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3 entries where 68H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	6

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Chemical Component Summary
Name	SALBUTAMOL
Systematic Name (OpenEye OEToolkits)	4-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol
Formula	C₁₃ H₂₁ N O₃
Molecular Weight	239.311
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	CC(C)(C)NC[CH](O)c1ccc(O)c(CO)c1
SMILES	OpenEye OEToolkits	1.6.1	CC(C)(C)NCC(c1ccc(c(c1)CO)O)O
Canonical SMILES	CACTVS	3.352	CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1
Canonical SMILES	OpenEye OEToolkits	1.6.1	CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O
InChI	InChI	1.03	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-/m0/s1
InChIKey	InChI	1.03	NDAUXUAQIAJITI-LBPRGKRZSA-N

Drug Info: DrugBank

DrugBank ID	DB13139
Name	Levosalbutamol
Groups	approved investigational
Description	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).
Synonyms	(R)-salbutamol R-salbutamol (-)-Salbutamol Levalbuterol Levosalbutamol hydrochloride Levosalbutamol tartrate Levosalbutamol sulfate Levosalbutamol (-)-Albuterol
Brand Names	Levalbuterol Inhalation Levalbuterol tartrate HFA inhalation Levalbuterol Hydrochloride Levalbuterol Xopenex HFA Levalbuterol Inhalation Solution Xopenex
Indication	Indicated for the management of COPD (chronic obstructive pulmonary disease, also known as chronic obstructive lung disease) and asthma.
Categories	Adrenergic Agonists Adrenergic beta-2 Receptor Agonists Adrenergic beta-Agonists Agents producing tachycardia Agents that produce hypertension Agents to Treat Airway Disease Alcohols Amines Amino Alcohols Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 Enzyme Inhibitors Drugs that are Mainly Renally Excreted Ethanolamines Ethylamines OATP1B1/SLCO1B1 Substrates OATP1B3 substrates Phenethylamines
CAS number	34391-04-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-2 adrenergic receptor	MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFG...	unknown	agonist
Solute carrier organic anion transporter family member 1B1	MDQNQHLNKTAEAQPSENKKTRYCNGLKMFLAALSLSFIAKTLGAIIMKS...	unknown	substrate
Solute carrier organic anion transporter family member 1B3	MDQHQHLNKTAESASSEKKKTRRCNGFKMFLAALSFSYIAKALGGIIMKI...	unknown	substrate

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682