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Bemoradan

CAT: 0804-HY-153168-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153168-02Size:5 mg
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Description
Bemoradan (compound 10a) is an orally active and selective canine Phosphodiesterase (PDE) fraction III inhibitor. Bemoradan is a long-acting, potent, inotropic vasodilator and a novel cardiotonic agent, and can be used in congestive heart failure research[1].
CAS Number
112018-01-6
UNSPSC
12352005
Target
Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/bemoradan.html
Solubility
10 mM in DMSO
Smiles
O=C1NN=C(C(C1)C)C2=CC3=C(NC(CO3)=O)C=C2
Molecular Formula
C13H13N3O3
Molecular Weight
259.26
References & Citations
[1]Combs DW, et al. 6-Benzoxazinylpyridazin-3-ones: potent, long-acting positive inotrope and peripheral vasodilator agents. J Med Chem. 1990 Jan;33 (1) :380-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Bemoradan

RN & structure given in first source

CAS Number112018-01-6
PubChem CID5362399
IUPAC Name7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
Molecular FormulaC13H13N3O3
Molecular Weight259.26
XLogP0.4
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity435
SMILES
CC1CC(=O)NN=C1C2=CC3=C(C=C2)NC(=O)CO3
InChI
InChI=1S/C13H13N3O3/c1-7-4-11(17)15-16-13(7)8-2-3-9-10(5-8)19-6-12(18)14-9/h2-3,5,7H,4,6H2,1H3,(H,14,18)(H,15,17)
InChIKey
XZPGINPFWXLYNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bemoradan
CAS: 112018-01-6
CID: 5362399
Formula: C13H13N3O3
MW: 259.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.26
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass259.09569129
Monoisotopic Mass259.09569129
Topological Polar Surface Area79.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T71421-01Bemoradan

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