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Amiodarone EP Impurity B-d4 HCl

CAT: 1596-AR-A01938-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01938-01Size:10 Units
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CAS Number
1189960-80-2
Synonyms
(2-butylbenzofuran-3-yl) (4- (2- (ethylamino) ethoxy) -3,5-diiodophenyl) methanone hydrochloride-d4
Molecular Formula
C23H21I2NO3D4. HCl
Molecular Weight
621.29 36.46
API Name
Amiodarone

Chemical Information

(2-Butyl-1-benzofuran-3-yl)-[3,5-diiodo-4-[1,1,2,2-tetradeuterio-2-(ethylamino)ethoxy]phenyl]methanone;hydrochloride
CAS Number1189960-80-2
PubChem CID45038854
IUPAC Name(2-butyl-1-benzofuran-3-yl)-[3,5-diiodo-4-[1,1,2,2-tetradeuterio-2-(ethylamino)ethoxy]phenyl]methanone;hydrochloride
Molecular FormulaC23H26ClI2NO3
Molecular Weight657.7
Topological Polar Surface Area51.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity508
SMILES
[2H]C([2H])(C([2H])([2H])OC1=C(C=C(C=C1I)C(=O)C2=C(OC3=CC=CC=C32)CCCC)I)NCC.Cl
InChI
InChI=1S/C23H25I2NO3.ClH/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2;/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3;1H/i11D2,12D2;
InChIKey
OCQPMJVGWGJLLG-ZYMFQSNRSA-N
Chemical Structure
2D Structure
2D structure of (2-Butyl-1-benzofuran-3-yl)-[3,5-diiodo-4-[1,1,2,2-tetradeuterio-2-(ethylamino)ethoxy]phenyl]methanone;hydrochloride
CAS: 1189960-80-2
CID: 45038854
Formula: C23H26ClI2NO3
MW: 657.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight657.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass656.99417
Monoisotopic Mass656.99417
Topological Polar Surface Area51.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity508
Isotope Atom Count4
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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Alternative Products

CatalogName
RM-A041802-01Amiodarone EP Impurity B
CS-EO-02932Amiodarone D4
TRC-A632952-25MGAmiodarone-D4 Hydrochloride
TMID-0069-01Amiodarone-d4 HCl
HY-14188SAmiodarone-d4 (hydrochloride)
TRC-D288733-1MGDesethyl Amiodarone-d4 Hydrochloride
HY-130353SDesethyl Amiodarone-d4 (hydrochloride)
IA63609-01Amiodarone impurity E
RM-A041839-01Amiodarone Impurity 39
RM-A041838-01Amiodarone Impurity 38

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