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BYK191023 dihydrochloride

CAT: 1410-M10811Size: 1 EachDry Ice: NoHazardous: No
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Description
BYK191023 dihydrochloride (BYK-191023) is a potent, highly selective inhibitor of inducible nitric-oxide synthase (iNOS) with IC50 of 86 nM.
CAS Number
1216722-25-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
327.209
Molecular Formula
C14H16Cl2N4O
Notes
Research use only, not for human use.
Receptor
NOS

Chemical Information

Byk 191023 dihydrochloride
CAS Number1216722-25-6
PubChem CID56972216
IUPAC Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine;dihydrochloride
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.2
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity289
SMILES
COC1=CC(=NC=C1)CCC2=NC3=C(N2)C=CC=N3.Cl.Cl
InChI
InChI=1S/C14H14N4O.2ClH/c1-19-11-6-8-15-10(9-11)4-5-13-17-12-3-2-7-16-14(12)18-13;;/h2-3,6-9H,4-5H2,1H3,(H,16,17,18);2*1H
InChIKey
ZVNITETZYOKESF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Byk 191023 dihydrochloride
CAS: 1216722-25-6
CID: 56972216
Formula: C14H16Cl2N4O
MW: 327.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass326.0701165
Monoisotopic Mass326.0701165
Topological Polar Surface Area63.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity289
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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