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OPC 18692

CAT: 0013-GTR19223006-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223006-02Size:50 mg
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Description
OPC 18692 is a primary metabolite of the cardiotonic agent Vesnarinone. This small molecule is utilized in cardiovascular research to investigate the pharmacokinetics, metabolic pathways, and inotropic mechanisms of its parent drug in both in vitro and in vivo experimental models.
CAS Number
211369-52-7
Smiles
O=C (C1=CC=C (OC) C (OC) =C1) N2C=CN (C3=CC=C4NC (=O) CCC4=C3) CC2
Molecular Formula
C22H23N3O4
Molecular Weight
393.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyrazine, 1-(3,4-dimethoxybenzoyl)-1,2,3,4-tetrahydro-4-(1,2,3,4-tetrahydro-2-oxo-6-quinolinyl)-
CAS Number211369-52-7
PubChem CID3083529
IUPAC Name6-[4-(3,4-dimethoxybenzoyl)-2,3-dihydropyrazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
Molecular FormulaC22H23N3O4
Molecular Weight393.4
XLogP2.1
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity640
SMILES
COC1=C(C=C(C=C1)C(=O)N2CCN(C=C2)C3=CC4=C(C=C3)NC(=O)CC4)OC
InChI
InChI=1S/C22H23N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,9,11,13-14H,4,8,10,12H2,1-2H3,(H,23,26)
InChIKey
MMJDLDDXKDBQTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrazine, 1-(3,4-dimethoxybenzoyl)-1,2,3,4-tetrahydro-4-(1,2,3,4-tetrahydro-2-oxo-6-quinolinyl)-
CAS: 211369-52-7
CID: 3083529
Formula: C22H23N3O4
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass393.16885622
Monoisotopic Mass393.16885622
Topological Polar Surface Area71.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity640
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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