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CK 3197

CAT: 0013-GTR19195034-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195034-02Size:50 mg
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Description
CK 3197
CAS Number
132523-92-3
Field of Research
Metabolism Research
Smiles
C (=O) (C=1N (C (=O) C2=CC=CC=C2) C (=O) NC1CC) C3=CC=C (C=C3) N4C (C) =NCC4
Molecular Formula
C23H22N4O3
Molecular Weight
402.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CK 3197

selective positive inotropic agent for clinical treatment of congestive heart failure; structure given in first source

CAS Number132523-92-3
PubChem CID131518
IUPAC Name3-benzoyl-5-ethyl-4-[4-(2-methyl-4,5-dihydroimidazol-1-yl)benzoyl]-1H-imidazol-2-one
Molecular FormulaC23H22N4O3
Molecular Weight402.4
XLogP2.2
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity773
SMILES
CCC1=C(N(C(=O)N1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4CCN=C4C
InChI
InChI=1S/C23H22N4O3/c1-3-19-20(27(23(30)25-19)22(29)17-7-5-4-6-8-17)21(28)16-9-11-18(12-10-16)26-14-13-24-15(26)2/h4-12H,3,13-14H2,1-2H3,(H,25,30)
InChIKey
SQXAAJDJSKQMNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CK 3197
CAS: 132523-92-3
CID: 131518
Formula: C23H22N4O3
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass402.16919058
Monoisotopic Mass402.16919058
Topological Polar Surface Area82.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity773
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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