CHEBI:64063 - (S)-salmeterol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-salmeterol
ChEBI ID CHEBI:64063
ChEBI ASCII Name (S)-salmeterol
Definition 2-(Hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol in which the stereocentre has S configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C25H37NO4
Net Charge 0
Average Mass 415.56560
Monoisotopic Mass 415.27226
InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/t25-/m1/s1
InChIKey GIIZNNXWQWCKIB-RUZDIDTESA-N
SMILES OCc1cc(ccc1O)[C@H](O)CNCCCCCCOCCCCc1ccccc1
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)-salmeterol (CHEBI:64063) is a 2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol (CHEBI:64064)
(S)-salmeterol (CHEBI:64063) is enantiomer of (R)-salmeterol (CHEBI:64062)
Incoming salmeterol (CHEBI:9011) has part (S)-salmeterol (CHEBI:64063)
(R)-salmeterol (CHEBI:64062) is enantiomer of (S)-salmeterol (CHEBI:64063)
Last Modified
08 May 2014