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E 047/1

CAT: 0013-GTR19273282-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273282-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MW-436 (E 0471) (hydrochloride) is a benzofuran-based compound known for its antiarrhythmic properties. It is useful for research in cardiovascular diseases.
CAS Number
128995-51-7
Smiles
Cl.O=C (C=1SC (OCCN (CC) CC) =CC1) C2=C (OC=3C=CC=CC32) CCCC
Molecular Formula
C23H30ClNO3S
Molecular Weight
436.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methanone, (2-butyl-3-benzofuranyl)(5-(2-(diethylamino)ethoxy)-2-thienyl)-, hydrochloride
CAS Number128995-51-7
PubChem CID153913
IUPAC Name(2-butyl-1-benzofuran-3-yl)-[5-[2-(diethylamino)ethoxy]thiophen-2-yl]methanone;hydrochloride
Molecular FormulaC23H30ClNO3S
Molecular Weight436.0
Topological Polar Surface Area70.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity484
SMILES
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(S3)OCCN(CC)CC.Cl
InChI
InChI=1S/C23H29NO3S.ClH/c1-4-7-11-19-22(17-10-8-9-12-18(17)27-19)23(25)20-13-14-21(28-20)26-16-15-24(5-2)6-3;/h8-10,12-14H,4-7,11,15-16H2,1-3H3;1H
InChIKey
CNLJBVCZDLFMKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methanone, (2-butyl-3-benzofuranyl)(5-(2-(diethylamino)ethoxy)-2-thienyl)-, hydrochloride
CAS: 128995-51-7
CID: 153913
Formula: C23H30ClNO3S
MW: 436.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass435.1634927
Monoisotopic Mass435.1634927
Topological Polar Surface Area70.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity484
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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