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E 0747

CAT: 1410-M33981-01Size: 1 EachDry Ice: NoHazardous: No
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Description
E 0747 (E0747) is a new antiarrhythmic compound that inhibits arrhythmias by inhibiting Na channels in cardiac cells.
CAS Number
99599-78-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
421.92
Molecular Formula
C21H28ClN3O4
Notes
Research use only, not for human use.
Receptor
Sodium Channel

Chemical Information

E 0747

structure given in first source

CAS Number99599-78-7
PubChem CID127372
IUPAC Name6-chloro-3'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
Molecular FormulaC21H28ClN3O4
Molecular Weight421.9
XLogP2.3
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity652
SMILES
CC1(CC2(C3=C(O1)C=CC(=C3)Cl)C(=O)N(C(=O)N2)CCCN4CCC(CC4)O)C
InChI
InChI=1S/C21H28ClN3O4/c1-20(2)13-21(16-12-14(22)4-5-17(16)29-20)18(27)25(19(28)23-21)9-3-8-24-10-6-15(26)7-11-24/h4-5,12,15,26H,3,6-11,13H2,1-2H3,(H,23,28)
InChIKey
VDDQRGRMFUGJDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of E 0747
CAS: 99599-78-7
CID: 127372
Formula: C21H28ClN3O4
MW: 421.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.9
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass421.1768341
Monoisotopic Mass421.1768341
Topological Polar Surface Area82.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity652
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

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Alternative Products

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MBS5773779E 0747
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GTR19233004-01E 0747 FA

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