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Bemoradan

CAT: 0931-T71421-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T71421-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112018-01-6
Target
Others, PDE
Related Pathways
Others, Metabolism
Bioactivity
Bemoradan is an inhibitor of the rolipram-insensitive cyclic AMP phosphodiesterase from canine heart tissue
Smiles
CC1C(C=2C=C3C(=CC2)NC(=O)CO3)=NNC(=O)C1
Molecular Formula
C13H13N3O3
Molecular Weight
259.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19209259-01Bemoradan

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