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CHEBI:9012 - Salmeterol xinafoate

Default Structure
ChEBI IDCHEBI:9012
ChEBI NameSalmeterol xinafoate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC11H8O3.C25H37NO4
Net Charge0
Average Mass603.756
Monoisotopic Mass603.31960
SMILESO=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O
InChIInChI=1S/C25H37NO4.C11H8O3/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;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14)
InChIKeyXTZNCVSCVHTPAI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Salmeterol xinafoate (CHEBI:9012) has role anti-asthmatic agent (CHEBI:65023)
Salmeterol xinafoate (CHEBI:9012) has role anti-obesity agent (CHEBI:74518)
Salmeterol xinafoate (CHEBI:9012) has role antispasmodic drug (CHEBI:53784)
Salmeterol xinafoate (CHEBI:9012) is a naphthoic acid (CHEBI:25483)
Salmeterol xinafoate (CHEBI:9012) is a organic molecular entity (CHEBI:50860)
Salmeterol xinafoate (CHEBI:9012) is a racemate (CHEBI:60911)
Synonyms  Source
GR 33343 GChEMBL
GR-33343 GChEMBL
GR-33343XChEMBL
LIPO-202ChEMBL
Salmeterol 1-hydroxy-2-naphthoateChEMBL
Salmeterol xinafoateKEGG COMPOUND
Brand Names  Source
Salmeterol xinafoate component of advairChEMBL
Salmeterol xinafoate component of advair hfaChEMBL
Salmeterol xinafoate component of airduo respiclickChEMBL
Salmeterol xinafoate component of lipo-102ChEMBL
Manual XrefsDatabases
D00687KEGG DRUG
Registry NumbersSources
CAS:94749-08-3KEGG COMPOUND
Citations