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96027-74-6 | Desethyl Amiodarone Hydrochloride
CAS No: 96027-74-6 Catalog No: AG006TJ4 MDL No:MFCD08060094
Product Description
Catalog Number:
AG006TJ4
Chemical Name:
Desethyl Amiodarone Hydrochloride
CAS Number:
96027-74-6
Molecular Formula:
C23H26ClI2NO3
Molecular Weight:
653.7194
MDL Number:
MFCD08060094
IUPAC Name:
(2-butyl-1-benzofuran-3-yl)-[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride
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
InChI Key:
OCQPMJVGWGJLLG-UHFFFAOYSA-N
SMILES:
CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCNCC)cccc2.Cl
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
652.969g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
653.724g/mol
Monoisotopic Mass:
652.969g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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