CHEBI:63108 - arformoterol fumarate

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ChEBI Name arformoterol fumarate
ChEBI ID CHEBI:63108
Definition A fumarate salt prepared from arformoterol by reaction of one molecule of fumaric acid for every two molecules of arformoterol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C42H52N4O12
Net Charge 0
Average Mass 804.88190
Monoisotopic Mass 804.35817
InChI InChI=1S/2C19H24N2O4.C4H4O4/c2*1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8/h2*3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*13-,19+;/m11./s1
InChIKey OBRNDARFFFHCGE-QDSVTUBZSA-N
SMILES OC(=O)\C=C\C(O)=O.[H]C(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](C)Cc1ccc(OC)cc1.[H]C(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](C)Cc1ccc(OC)cc1
Roles Classification
Biological Role(s): beta-adrenergic agonist
An agent that selectively binds to and activates beta-adrenergic receptors.
Application(s): beta-adrenergic agonist
An agent that selectively binds to and activates beta-adrenergic receptors.
bronchodilator agent
An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing arformoterol fumarate (CHEBI:63108) has part arformoterol(1+) (CHEBI:63107)
arformoterol fumarate (CHEBI:63108) has role β-adrenergic agonist (CHEBI:35522)
arformoterol fumarate (CHEBI:63108) has role bronchodilator agent (CHEBI:35523)
arformoterol fumarate (CHEBI:63108) is a fumarate salt (CHEBI:50921)
arformoterol fumarate (CHEBI:63108) is enantiomer of (S,S)-formoterol fumarate (CHEBI:63109)
Incoming formoterol fumarate (CHEBI:31633) has part arformoterol fumarate (CHEBI:63108)
(S,S)-formoterol fumarate (CHEBI:63109) is enantiomer of arformoterol fumarate (CHEBI:63108)
IUPAC Name
bis[(2R)-N-{(2R)-2-[3-(formylamino)-4-hydroxyphenyl]-2-hydroxyethyl}-1-(4-methoxyphenyl)propan-2-aminium] (2E)-but-2-enedioate
Synonyms Sources
(R,R)-formoterol fumarate ChEBI
N-{2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide (2E)-but-2-enedioate IUPAC
Last Modified
25 October 2011