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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:64063 - (
S
)-salmeterol
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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.
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Molfile
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 (Br
o
nsted 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