CHEBI:63081 - (S,S)-formoterol

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ChEBI Name (S,S)-formoterol
ChEBI ID CHEBI:63081
ChEBI ASCII Name (S,S)-formoterol
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H24N2O4
Net Charge 0
Average Mass 344.40490
Monoisotopic Mass 344.17361
InChI InChI=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
InChIKey BPZSYCZIITTYBL-ORAYPTAESA-N
SMILES [H]C(=O)Nc1cc(ccc1O)[C@H](O)CN[C@@H](C)Cc1ccc(OC)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 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 Sources
(+)-formoterol ChEBI
(S,S)-N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formaldehyde ChEBI
Manual Xref Database
LSM-4251 LINCS
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Registry Number Type Source
7861826 Reaxys Registry Number Reaxys
Last Modified
25 February 2016