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Barucainide dihydrochloride

CAT: 0013-GTR19242530-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242530-01Size:50 mg
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Description
Barucainide dihydrochloride is a Class IB antiarrhythmic agent studied for its potential therapeutic effects in coronary artery disease. Research applications include in vitro electrophysiology studies and in vivo animal models of ventricular arrhythmias to investigate sodium channel blockade.
CAS Number
68484-35-5
Smiles
CC (C) NCCCCOC1=C (C) N=C (CC2=CC=CC=C2) C3=C1COC3.Cl.Cl
Molecular Formula
C22H32Cl2N2O2
Molecular Weight
427.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylethyl)-, hydrochloride (1:2)
CAS Number68484-35-5
PubChem CID198513
IUPAC Name4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylbutan-1-amine;dihydrochloride
Molecular FormulaC22H32Cl2N2O2
Molecular Weight427.4
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity398
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCCNC(C)C.Cl.Cl
InChI
InChI=1S/C22H30N2O2.2ClH/c1-16(2)23-11-7-8-12-26-22-17(3)24-21(19-14-25-15-20(19)22)13-18-9-5-4-6-10-18;;/h4-6,9-10,16,23H,7-8,11-15H2,1-3H3;2*1H
InChIKey
MKTACNXFWOOJBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylethyl)-, hydrochloride (1:2)
CAS: 68484-35-5
CID: 198513
Formula: C22H32Cl2N2O2
MW: 427.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass426.1840837
Monoisotopic Mass426.1840837
Topological Polar Surface Area43.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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