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Azilsartan Dimer Impurity

CAT: 1596-AR-A03165-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A03165-02Size:25 Units
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CAS Number
1604812-35-2
Synonyms
(5-methyl-2-oxo-1,3-dioxol-4-yl) methyl 2-ethoxy-1- ((2'- (4- ((5-methyl-2-oxo-1,3-dioxol-4-yl) methyl) -5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl) -[1,1'-biphenyl]-4-yl) methyl) -1H-benzo[d]imidazole-7-carboxylate; Azilsartan Impurity 9
Molecular Formula
C35H28N4O11
Molecular Weight
680.63
API Name
Azilsartan

Chemical Information

Azilsartan Dimer
CAS Number1604812-35-2
PubChem CID90099058
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-5-oxo-1,2,4-oxadiazol-3-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate
Molecular FormulaC35H28N4O11
Molecular Weight680.6
XLogP5.4
Topological Polar Surface Area166
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Heavy Atom Count50
Formal Charge0
Complexity1450
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5CC6=C(OC(=O)O6)C)C(=O)OCC7=C(OC(=O)O7)C
InChI
InChI=1S/C35H28N4O11/c1-4-44-32-36-26-11-7-10-25(31(40)45-18-28-20(3)47-35(43)49-28)29(26)38(32)16-21-12-14-22(15-13-21)23-8-5-6-9-24(23)30-37-50-33(41)39(30)17-27-19(2)46-34(42)48-27/h5-15H,4,16-18H2,1-3H3
InChIKey
PIGXPFQGERNXGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azilsartan Dimer
CAS: 1604812-35-2
CID: 90099058
Formula: C35H28N4O11
MW: 680.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight680.6
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Exact Mass680.17545772
Monoisotopic Mass680.17545772
Topological Polar Surface Area166 Ų
Heavy Atom Count50
Formal Charge0
Complexity1450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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