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711389-S hydrochloride

CAT: 0013-GTR19262874-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19262874-01Size:10 mg
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Description
711389-S hydrochloride is an antiarrhythmic compound that exhibits its activity by increasing the ventricular fibrillation threshold (VFT) . It also demonstrates strong antifibrillatory effects and safety, making it useful for research on ventricular fibrillation and sudden cardiac death.
CAS Number
94899-83-9
Smiles
Cl.ClC1=CC=C (Cl) C (=C1OCC (O) CNC (C) C) C (=C) N2C=NC=C2
Molecular Formula
C17H22Cl3N3O2
Molecular Weight
406.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

S-1389
CAS Number94899-83-9
PubChem CID146863
IUPAC Name1-[3,6-dichloro-2-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
Molecular FormulaC17H22Cl3N3O2
Molecular Weight406.7
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity411
SMILES
CC(C)NCC(COC1=C(C=CC(=C1C(=C)N2C=CN=C2)Cl)Cl)O.Cl
InChI
InChI=1S/C17H21Cl2N3O2.ClH/c1-11(2)21-8-13(23)9-24-17-15(19)5-4-14(18)16(17)12(3)22-7-6-20-10-22;/h4-7,10-11,13,21,23H,3,8-9H2,1-2H3;1H
InChIKey
DGLQZJPSOFSWLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-1389
CAS: 94899-83-9
CID: 146863
Formula: C17H22Cl3N3O2
MW: 406.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass405.077760
Monoisotopic Mass405.077760
Topological Polar Surface Area59.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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