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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:71248 - (
S
,
S
)-asenapine maleate
Main
ChEBI Ontology
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ChEBI Name
(
S
,
S
)-asenapine maleate
ChEBI ID
CHEBI:71248
ChEBI ASCII Name
(S,S)-asenapine maleate
Definition
A maleate salt obtained by combining equimolar amounts of (
S
,
S
)-asenapine and maleic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H20ClNO5
Net Charge
0
Average Mass
401.84000
Monoisotopic Mass
401.10300
InChI
InChI=1S/C17H16ClNO.C4H4O4/c1-
19-
9-
14-
12-
4-
2-
3-
5-
16(12)
20-
17-
7-
6-
11(18)
8-
13(17)
15(14)
10-
19;5-
3(6)
1-
2-
4(7)
8/h2-
8,14-
15H,9-
10H2,1H3;1-
2H,(H,5,6)
(H,7,8)
/b;2-
1-
/t14-
,15-
;/m1./s1
InChIKey
GMDCDXMAFMEDAG-CHHFXETESA-N
SMILES
OC(=O)\C=C/C(O)=O.[H][C@]12CN(C)C[C@]1([H])c1cc(Cl)ccc1Oc1ccccc21
ChEBI Ontology
Outgoing
(
S
,
S
)-asenapine maleate (
CHEBI:71248
)
has part
(
S
,
S
)-asenapine(1+) (
CHEBI:71252
)
(
S
,
S
)-asenapine maleate (
CHEBI:71248
)
is a
maleate salt (
CHEBI:50221
)
(
S
,
S
)-asenapine maleate (
CHEBI:71248
)
is enantiomer of
(
R
,
R
)-asenapine maleate (
CHEBI:71246
)
Incoming
asenapine maleate (
CHEBI:71245
)
has part
(
S
,
S
)-asenapine maleate (
CHEBI:71248
)
(
R
,
R
)-asenapine maleate (
CHEBI:71246
)
is enantiomer of
(
S
,
S
)-asenapine maleate (
CHEBI:71248
)
Manual Xrefs
Databases
EP1710241
Patent
US2007027134
Patent
US5763476
Patent
WO2012066565
Patent
View more database links
Last Modified
27 November 2012