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Enoximone

CAT: 1410-M21990-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M21990-02Size:1 mL x 10 mM in DMSO
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Description
Enoximone is a selective inhibitor of phosphodiesterase III (PDE3), with treatment of congestive heart failure.
CAS Number
77671-31-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
248.3
Molecular Formula
C12H12N2O2S
Notes
Research use only, not for human use.
Receptor
PDE3

Chemical Information

Enoximone

Enoximone is an aromatic ketone.

CAS Number77671-31-9
PubChem CID53708
IUPAC Name4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one
Molecular FormulaC12H12N2O2S
Molecular Weight248.30
XLogP1.6
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity371
SMILES
CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC
InChI
InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)
InChIKey
ZJKNESGOIKRXQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Enoximone
CAS: 77671-31-9
CID: 53708
Formula: C12H12N2O2S
MW: 248.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.30
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass248.06194880
Monoisotopic Mass248.06194880
Topological Polar Surface Area83.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity371
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

Related Products

CatalogName
M14567-01Enoxolone

Alternative Products

CatalogName
317773Enoximone
MBS5811161Enoximone sulfoxide

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