Dextrosimendan

CAT: 1596-AR-L07131-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07131-02Size:25 Units

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CAS Number

144238-75-5

Synonyms

(S) -N- (4- (4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl) phenyl) carbonohydrazonoyl dicyanide

Molecular Formula

C14H12N6O

Molecular Weight

280.29

API Name

Levosimendan

Chemical Information

Dextrosimendan

CAS Number	144238-75-5
PubChem CID	9900337
IUPAC Name	2-[[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile
Molecular Formula	C14H12N6O
Molecular Weight	280.28
XLogP	2.3
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	549

SMILES

C[C@H]1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N

InChI

InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m0/s1

InChIKey

WHXMKTBCFHIYNQ-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 144238-75-5

CID: 9900337

Formula: C14H12N6O

MW: 280.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.28
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	280.10725903
Monoisotopic Mass	280.10725903
Topological Polar Surface Area	113 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	549
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-D299550-25MG	Dextrosimendan
TRC-L589170-25MG	Dextrosimendan 6-Phenyl