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CHEBI:63108 - arformoterol fumarate

ChEBI IDCHEBI:63108
ChEBI Namearformoterol fumarate
Stars
DefinitionA fumarate salt prepared from arformoterol by reaction of one molecule of fumaric acid for every two molecules of arformoterol.
Last Modified25 October 2011
SubmitterGareth Owen
DownloadsMolfile
Formula2C19H24N2O4.C4H4O4
Net Charge0
Average Mass804.894
Monoisotopic Mass804.35817
SMILESO=C(O)/C=C/C(=O)O.[H]C(=O)Nc1cc([C@@H](O)CN[C@H](C)Cc2ccc(OC)cc2)ccc1O.[H]C(=O)Nc1cc([C@@H](O)CN[C@H](C)Cc2ccc(OC)cc2)ccc1O
InChIInChI=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
InChIKeyOBRNDARFFFHCGE-QDSVTUBZSA-N
Roles Classification
Biological Role:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
Applications:
beta-adrenergic agonist  An agent that selectively binds to and activates β-adrenergic receptors.
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
ChEBI Ontology
Outgoing Relation(s)
arformoterol fumarate (CHEBI:63108) has part arformoterol(1+) (CHEBI:63107)
arformoterol fumarate (CHEBI:63108) has role bronchodilator agent (CHEBI:35523)
arformoterol fumarate (CHEBI:63108) has role β-adrenergic agonist (CHEBI:35522)
arformoterol fumarate (CHEBI:63108) is a fumarate salt (CHEBI:50921)
arformoterol fumarate (CHEBI:63108) is enantiomer of (S,S)-formoterol fumarate (CHEBI:63109)
Incoming Relation(s)
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  Source
(R,R)-formoterol fumarateChEBI
N-{2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide (2E)-but-2-enedioateIUPAC