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Azilsartan Impurity A

CAT: 1596-AR-A03148-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A03148-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147404-76-0
Synonyms
Methyl 1- ((2'-carbamoyl-[1,1'-biphenyl]-4-yl) methyl) -2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
Molecular Formula
C25H23N3O4
Molecular Weight
429.48
API Name
Azilsartan

Chemical Information

Methyl 1-((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
CAS Number147404-76-0
PubChem CID18693013
IUPAC Namemethyl 3-[[4-(2-carbamoylphenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate
Molecular FormulaC25H23N3O4
Molecular Weight429.5
XLogP4.1
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity651
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N)C(=O)OC
InChI
InChI=1S/C25H23N3O4/c1-3-32-25-27-21-10-6-9-20(24(30)31-2)22(21)28(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23(26)29/h4-14H,3,15H2,1-2H3,(H2,26,29)
InChIKey
HNNRUQRZSQWNFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 1-((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
CAS: 147404-76-0
CID: 18693013
Formula: C25H23N3O4
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass429.16885622
Monoisotopic Mass429.16885622
Topological Polar Surface Area96.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity651
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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