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1-Methoxy Amiodarone

CAT: 0572-TRC-M260915-5MGSize: 5 mgDry Ice: YesHazardous: No
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CAT#:0572-TRC-M260915-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1087223-70-8
Synonyms
[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl][2-[(1RS)-1-methoxybutyl]benzofuran-3-yl]methanone; Amiodarone Hydrochoride Imp. G (EP); 1-Methoxy Amiodarone; [2-[(1RS)-1-Methoxybutyl]benzofuran-3-yl][4-[2-(diethyl-amino)ethoxy]-3,5-diiodophenyl]methanone
Hazard Statement
Harmful in contact with skin.
Smiles
CCCC(OC)c1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3
Molecular Formula
C26 H31 I2 N O4
Molecular Weight
675.34
InChI
InChI=1S/C26H31I2NO4/c1-5-10-22(31-4)26-23(18-11-8-9-12-21(18)33-26)24(30)17-15-19(27)25(20(28)16-17)32-14-13-29(6-2)7-3/h8-9,11-12,15-16,22H,5-7,10,13-14H2,1-4H3
Additionnal Information
IUPAC name: [4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-[2-(1-methoxybutyl)-1-benzofuran-3-yl]methanone
Shipping Conditions
Dry Ice
Storage Conditions
-86°C

Chemical Information

(4-(2-(Diethylamino)ethoxy)-3,5-diiodophenyl)(2-(1-methoxybutyl)benzofuran-3-yl)methanone
CAS Number1087223-70-8
PubChem CID71587928
IUPAC Name[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-[2-(1-methoxybutyl)-1-benzofuran-3-yl]methanone
Molecular FormulaC26H31I2NO4
Molecular Weight675.3
XLogP6.8
Topological Polar Surface Area51.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity593
SMILES
CCCC(C1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I)OC
InChI
InChI=1S/C26H31I2NO4/c1-5-10-22(31-4)26-23(18-11-8-9-12-21(18)33-26)24(30)17-15-19(27)25(20(28)16-17)32-14-13-29(6-2)7-3/h8-9,11-12,15-16,22H,5-7,10,13-14H2,1-4H3
InChIKey
QDIGHYCNRQYPFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-(2-(Diethylamino)ethoxy)-3,5-diiodophenyl)(2-(1-methoxybutyl)benzofuran-3-yl)methanone
CAS: 1087223-70-8
CID: 71587928
Formula: C26H31I2NO4
MW: 675.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight675.3
XLogP36.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass675.03425
Monoisotopic Mass675.03425
Topological Polar Surface Area51.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
282095-011-Methoxy amiodarone
AR-A01950-01Methoxy Amiodarone
RM-A041811-01Amiodarone Methoxy Impurity
sc-500833Des (diethylaminoethyl) -didesiodo-1′-methoxy Amiodarone
007673De (diethylaminoethyl-5-iodo) -1-methoxy Amiodarone
MBS6088377-01De(diethylaminoethyl-5-iodo)-1-methoxy Amiodarone
AR-A06279-01Des-O-[2- (diethylamino) ethyl]-1-methoxy Amiodarone
MBS6038923-01Des-O-[2-(diethylamino)ethyl]-1-methoxy Amiodarone
AR-A01952-01Amiodarone Impurity 1
AR-A01944-01Amiodarone Related Compound 1

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