List of Drug Master Files (DMF) of Opicapone Active Pharmaceutical Ingredient listed on PharmaCompass.com

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Chemistry

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Also known as:
Molecular Formula
C15H10Cl2N4O6
Molecular Weight
413.2  g/mol
InChI Key
HVGGGVAREUUJQV-VIZOYTHASA-N

Opicapone
1 2D Structure

Opicapone

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4E)-4-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one
2.1.2 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/h3-4,22H,1-2H3,(H,18,19)/b15-7+
2.1.3 InChI Key
HVGGGVAREUUJQV-VIZOYTHASA-N
2.1.4 Canonical SMILES
CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NC(=C3C=C(C(=O)C(=C3)O)[N+](=O)[O-])ON2
2.1.5 Isomeric SMILES
CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=N/C(=C\3/C=C(C(=O)C(=C3)O)[N+](=O)[O-])/ON2
2.2 Create Date
2007-02-12
3 Chemical and Physical Properties
Molecular Weight 413.2 g/mol
Molecular Formula C15H10Cl2N4O6
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass411.9977394 g/mol
Monoisotopic Mass411.9977394 g/mol
Topological Polar Surface Area142 Ų
Heavy Atom Count27
Formal Charge0
Complexity818
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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Opicapone Manufacturers | Traders | Suppliers

Opicapone Manufacturers, Traders, Suppliers 1
43

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  1. Bial
  2. MSN Laboratories
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