CHEBI:9012 - Salmeterol xinafoate

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ChEBI Name Salmeterol xinafoate
ChEBI ID CHEBI:9012
Stars This entity has been manually annotated by a third party.
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Formulae C25H37NO4.C11H8O3
C36H45NO7
Net Charge 0
Average Mass 603.746
Monoisotopic Mass 603.31960
InChI InChI=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)
InChIKey XTZNCVSCVHTPAI-UHFFFAOYSA-N
SMILES C12=C(C(=C(C(O)=O)C=C1)O)C=CC=C2.C1(=CC(=C(O)C=C1)CO)C(CNCCCCCCOCCCCC2=CC=CC=C2)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Salmeterol xinafoate (CHEBI:9012) is a naphthoic acid (CHEBI:25483)
Synonyms Sources
Salmeterol xinafoate KEGG COMPOUND
Serevent KEGG COMPOUND
Manual Xref Database
D00687 KEGG DRUG
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Registry Number Type Source
94749-08-3 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017