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Reversan

CAT: 0127-BUP20545-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20545-02Size:10 mg
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CAS Number
111786-07-3
Synonyms
CBLC4H10 , CBLC 4H10
Purity
=98%
Smiles
CN1Cc2cc(ccc2NC1=O)C1=NNC(=O)CC1

Chemical Information

Prinoxodan

Prinoxodan is a small molecule drug. The usage of the INN stem '-dan' in the name indicates that Prinoxodan is a cardiac stimulant, pimobendan derivative. Prinoxodan has a monoisotopic molecular weight of 258.11 Da.

CAS Number111786-07-3
PubChem CID5362397
IUPAC Name3-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-dihydroquinazolin-2-one
Molecular FormulaC13H14N4O2
Molecular Weight258.28
XLogP-0.3
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity434
SMILES
CN1CC2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O
InChI
InChI=1S/C13H14N4O2/c1-17-7-9-6-8(2-3-10(9)14-13(17)19)11-4-5-12(18)16-15-11/h2-3,6H,4-5,7H2,1H3,(H,14,19)(H,16,18)
InChIKey
SUCNEHPNQBBVHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prinoxodan
CAS: 111786-07-3
CID: 5362397
Formula: C13H14N4O2
MW: 258.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.28
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass258.11167570
Monoisotopic Mass258.11167570
Topological Polar Surface Area73.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity434
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

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