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Ethacizine hydrochloride

CAT: 1410-M32921-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Ethacizine hydrochloride (NIK-244) has antiarrhythmic activity, and its effects are related to cardiac activity and can be used to study arrhythmias and myocardial infarction.
CAS Number
57530-40-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
449.99
Molecular Formula
C22H28ClN3O3S
Notes
Research use only, not for human use.
Receptor
Sodium Channel

Chemical Information

Ethacizine hydrochloride
CAS Number57530-40-2
PubChem CID3044577
IUPAC Nameethyl N-[10-[3-(diethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.0
Topological Polar Surface Area87.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity557
SMILES
CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC.Cl
InChI
InChI=1S/C22H27N3O3S.ClH/c1-4-24(5-2)14-13-21(26)25-17-9-7-8-10-19(17)29-20-12-11-16(15-18(20)25)23-22(27)28-6-3;/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27);1H
InChIKey
VHNXQKLWIQHSOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethacizine hydrochloride
CAS: 57530-40-2
CID: 3044577
Formula: C22H28ClN3O3S
MW: 450.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass449.1539906
Monoisotopic Mass449.1539906
Topological Polar Surface Area87.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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