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rac Pimobendan

CAT: 0572-TRC-P447500-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P447500-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74150-27-9
Synonyms
(5RS)-6-[2-(4-Methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-4,5-dihydropyridazin-3(2H)-one; 3(2H)-Pyridazinone, 4,5-dihydro-6-[2-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-5-methyl-; 3(2H)-Pyridazinone, 4,5-dihydro-6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl; 3(2H)-Pyridazinone, 4,5-dihydro-6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl- (9CI); 4,5-Dihydro-6-[2-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-5-methyl-3(2H)-pyridazinone; Acardi; Pimobendan; Racemic pimobendan; UD-CG 115; UD-CG 115BS; Vetmedin; dl-Pimobendan
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
COc1ccc(cc1)c2nc3cc(ccc3[nH]2)C4=NNC(=O)CC4C
Molecular Formula
C19 H18 N4 O2
Molecular Weight
334.37
InChI
InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)
Additionnal Information
IUPAC name: 3-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pimobendan

Pimobendan is a member of benzimidazoles and a pyridazinone. It has a role as a vasodilator agent, a cardiotonic drug and an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor.

CAS Number74150-27-9
PubChem CID4823
IUPAC Name3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Molecular FormulaC19H18N4O2
Molecular Weight334.4
XLogP2.7
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity530
SMILES
CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H18N4O2/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)
InChIKey
GLBJJMFZWDBELO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pimobendan
CAS: 74150-27-9
CID: 4823
Formula: C19H18N4O2
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass334.14297583
Monoisotopic Mass334.14297583
Topological Polar Surface Area79.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity530
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