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Dextrosimendan 6-Phenyl

CAT: 0572-TRC-L589170-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L589170-100MGSize:100 mg
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CAS Number
2290570-69-1
Synonyms
(5S)-4,5-Dihydro-5-methyl-6-phenyl-3(2H)-pyridazinone
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
C[C@H]1CC(=O)NN=C1c2ccccc2
Molecular Formula
C11H12N2O
Molecular Weight
188.23
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dextrosimendan 6-Phenyl
CAS Number2290570-69-1
PubChem CID169443045
IUPAC Name(4S)-4-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
Molecular FormulaC11H12N2O
Molecular Weight188.23
XLogP1.5
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity254
SMILES
C[C@H]1CC(=O)NN=C1C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O/c1-8-7-10(14)12-13-11(8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,14)/t8-/m0/s1
InChIKey
GVASAZMJZKWWEA-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of Dextrosimendan 6-Phenyl
CAS: 2290570-69-1
CID: 169443045
Formula: C11H12N2O
MW: 188.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight188.23
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass188.094963011
Monoisotopic Mass188.094963011
Topological Polar Surface Area41.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes