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CHEBI:63081 - (S,S)-formoterol

ChEBI IDCHEBI:63081
ChEBI Name(S,S)-formoterol
Stars
ASCII Name(S,S)-formoterol
DefinitionAn N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide in which both of the stereocentres have S configuration.
Last Modified25 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H24N2O4
Net Charge0
Average Mass344.411
Monoisotopic Mass344.17361
SMILES[H]C(=O)Nc1cc([C@H](O)CN[C@@H](C)Cc2ccc(OC)cc2)ccc1O
InChIInChI=1S/C19H24N2O4/c1-13(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/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m0/s1
InChIKeyBPZSYCZIITTYBL-ORAYPTAESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S,S)-formoterol (CHEBI:63081) is a N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide (CHEBI:63082)
(S,S)-formoterol (CHEBI:63081) is conjugate base of (S,S)-formoterol(1+) (CHEBI:63110)
(S,S)-formoterol (CHEBI:63081) is enantiomer of arformoterol (CHEBI:408174)
Incoming Relation(s)
formoterol (CHEBI:5147) has part (S,S)-formoterol (CHEBI:63081)
(S,S)-formoterol(1+) (CHEBI:63110) is conjugate acid of (S,S)-formoterol (CHEBI:63081)
arformoterol (CHEBI:408174) is enantiomer of (S,S)-formoterol (CHEBI:63081)
IUPAC Name 
N-{2-hydroxy-5-[(1S)-1-hydroxy-2-{[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide
Synonyms  Source
(+)-formoterolChEBI
(S,S)-N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formaldehydeChEBI
Manual XrefsDatabases
LSM-4251LINCS
Registry NumbersSources
Reaxys:7861826Reaxys