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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).
Biological Role:
anti-obesity agent  Any substance which is used to reduce or control weight.
Applications:
anti-asthmatic agent  Any compound that has anti-asthmatic effects.
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
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)
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