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CHEBI:63109 - (S,S)-formoterol fumarate

ChEBI IDCHEBI:63109
ChEBI Name(S,S)-formoterol fumarate
Stars
ASCII Name(S,S)-formoterol fumarate
DefinitionA fumarate salt prepared from (S,S)-formoterol by reaction of one molecule of fumaric acid for every two molecules of (S,S)-formoterol.
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+;/m00./s1
InChIKeyOBRNDARFFFHCGE-PERKLWIXSA-N
ChEBI Ontology
Outgoing Relation(s)
(S,S)-formoterol fumarate (CHEBI:63109) has part (S,S)-formoterol(1+) (CHEBI:63110)
(S,S)-formoterol fumarate (CHEBI:63109) is a fumarate salt (CHEBI:50921)
(S,S)-formoterol fumarate (CHEBI:63109) is enantiomer of arformoterol fumarate (CHEBI:63108)
Incoming Relation(s)
formoterol fumarate (CHEBI:31633) has part (S,S)-formoterol fumarate (CHEBI:63109)
arformoterol fumarate (CHEBI:63108) is enantiomer of (S,S)-formoterol fumarate (CHEBI:63109)
IUPAC Name 
bis[(2S)-N-{(2S)-2-[3-(formylamino)-4-hydroxyphenyl]-2-hydroxyethyl}-1-(4-methoxyphenyl)propan-2-aminium] (2E)-but-2-enedioate
Synonym  Source
N-{2-hydroxy-5-[(1S)-1-hydroxy-2-{[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide (2E)-but-2-enedioateIUPAC