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Nebicapone

CAT: 0013-GTR19204002-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204002-03Size:100 mg
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Description
Nebicapone is a reversible, peripherally-acting COMT inhibitor that undergoes glucuronidation. It enhances L-DOPA therapy for Parkinson's disease by blocking its conversion to 3-O-methyl-DOPA, as demonstrated in preclinical in vitro and in vivo pharmacological studies.
CAS Number
274925-86-9
Field of Research
Metabolism Research
Smiles
Oc1cc (cc (c1O) [N+] ([O-]) =O) C (=O) Cc1ccccc1
Molecular Formula
C14H11NO5
Molecular Weight
273.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nebicapone

Nebicapone is under investigation in clinical trial NCT03097211 (Effect of BIA 6-512 at Steady-state on the Levodopa Pharmacokinetics With a Single-dose of Levodopa/Benserazide 200/50 mg or With a Single-dose of Levodopa/Benserazide 200/50 mg Plus a Single-dose of Nebicapone 150 mg).

CAS Number274925-86-9
PubChem CID9838389
IUPAC Name1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone
Molecular FormulaC14H11NO5
Molecular Weight273.24
XLogP2.9
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity361
SMILES
C1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO5/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(19)20)14(18)13(17)8-10/h1-5,7-8,17-18H,6H2
InChIKey
MRFOLGFFTUGAEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nebicapone
CAS: 274925-86-9
CID: 9838389
Formula: C14H11NO5
MW: 273.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.24
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass273.06372245
Monoisotopic Mass273.06372245
Topological Polar Surface Area103 Ų
Heavy Atom Count20
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7237-10Nebicapone
A20279-50Nebicapone 50mg
A20279-1Nebicapone 1mg
HY-106405R-01Nebicapone (Standard)
A20279-10Nebicapone 10mg
A20279-5Nebicapone 5mg
A20279-100Nebicapone 100mg
A20279-25Nebicapone 25mg

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