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ChEBI
> Main
CHEBI:9012 - Salmeterol xinafoate
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ChEBI Ontology
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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 (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
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
View more database links
Registry Number
Type
Source
94749-08-3
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017