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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:134699 - opicapone
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ChEBI Ontology
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ChEBI Name
opicapone
ChEBI ID
CHEBI:134699
Stars
This entity has been manually annotated by a third party.
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Formula
C15H10Cl2N4O6
Net Charge
0
Average Mass
413.170
Monoisotopic Mass
411.99774
InChI
InChI=1S/C15H10Cl2N4O6/c1-
5-
10(13(17)
20(24)
6(2)
11(5)
16)
14-
18-
15(27-
19-
14)
7-
3-
8(21(25)
26)
12(23)
9(22)
4-
7/h3-
4,22-
23H,1-
2H3
InChIKey
ASOADIZOVZTJSR-UHFFFAOYSA-N
SMILES
C1=C(C(=C(C=C1C2=NC(=NO2)C=3C(=[N+](C(=C(C3C)Cl)C)[O-])Cl)O)O)[N+](=O)[O-]
ChEBI Ontology
Outgoing
opicapone (
CHEBI:134699
)
is a
oxadiazole (
CHEBI:46685
)
opicapone (
CHEBI:134699
)
is a
ring assembly (
CHEBI:36820
)
Synonyms
Sources
BIA 9-1067
DrugCentral
ongentys
DrugCentral
Manual Xref
Database
5143
DrugCentral
View more database links
Registry Number
Type
Source
923287-50-7
CAS Registry Number
DrugCentral
Last Modified
23 February 2017