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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:63109 - (
S
,
S
)-formoterol fumarate
Main
ChEBI Ontology
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ChEBI Name
(
S
,
S
)-formoterol fumarate
ChEBI ID
CHEBI:63109
ChEBI ASCII Name
(S,S)-formoterol fumarate
Definition
A fumarate salt prepared from (
S
,
S
)-formoterol by reaction of one molecule of fumaric acid for every two molecules of (
S
,
S
)-formoterol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C42H52N4O12
Net Charge
0
Average Mass
804.88190
Monoisotopic Mass
804.35817
InChI
InChI=1S/2C19H24N2O4.C4H4O4/c2*1-
13(9-
14-
3-
6-
16(25-
2)
7-
4-
14)
20-
11-
19(24)
15-
5-
8-
18(23)
17(10-
15)
21-
12-
22;5-
3(6)
1-
2-
4(7)
8/h2*3-
8,10,12-
13,19-
20,23-
24H,9,11H2,1-
2H3,(H,21,22)
;1-
2H,(H,5,6)
(H,7,8)
/b;;2-
1+/t2*13-
,19+;/m00./s1
InChIKey
OBRNDARFFFHCGE-PERKLWIXSA-N
SMILES
OC(=O)
\C=C\C(O)
=O.[H]
C(=O)
Nc1cc(ccc1O)
[C@H]
(O)
CN[C@@H]
(C)
Cc1ccc(OC)
cc1.[H]
C(=O)
Nc1cc(ccc1O)
[C@H]
(O)
CN[C@@H]
(C)
Cc1ccc(OC)
cc1
ChEBI Ontology
Outgoing
(
S
,
S
)-formoterol fumarate (
CHEBI:63109
)
has part
(
S
,
S
)-formoterol(1+) (
CHEBI:63110
)
(
S
,
S
)-formoterol fumarate (
CHEBI:63109
)
is a
fumarate salt (
CHEBI:50921
)
(
S
,
S
)-formoterol fumarate (
CHEBI:63109
)
is enantiomer of
arformoterol fumarate (
CHEBI:63108
)
Incoming
formoterol fumarate (
CHEBI:31633
)
has part
(
S
,
S
)-formoterol fumarate (
CHEBI:63109
)
arformoterol fumarate (
CHEBI:63108
)
is enantiomer of
(
S
,
S
)-formoterol fumarate (
CHEBI:63109
)
IUPAC Name
bis[(2
S
)-
N
-
{(2
S
)-
2-
[3-
(formylamino)-
4-
hydroxyphenyl]-
2-
hydroxyethyl}-
1-
(4-
methoxyphenyl)propan-
2-
aminium] (2
E
)-
but-
2-
enedioate
Synonym
Source
N
-
{2-
hydroxy-
5-
[(1
S
)-
1-
hydroxy-
2-
{[(2
S
)-
1-
(4-
methoxyphenyl)propan-
2-
yl]amino}ethyl]phenyl}formamide (2
E
)-
but-
2-
enedioate
IUPAC
Last Modified
25 October 2011