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Azilsartan Impurity 3

CAT: 1299-RM-A261931-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A261931-01Size:10 mg
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CAS Number
1696392-12-7
Synonyms
(5-methyl-2-oxo-1,3-dioxol-4-yl) methyl 1- ((2'-carbamoyl-[1,1'-biphenyl]-4-yl) methyl) -2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
Molecular Formula
C29H25N3O7
Molecular Weight
527.52
Target Alternative Name
Azilsartan
Product Name Synonym
(5-methyl-2-oxo-1,3-dioxol-4-yl) methyl 1- ((2'-carbamoyl-[1,1'-biphenyl]-4-yl) methyl) -2-ethoxy-1H-benzo[d]imidazole-7-carboxylate

Chemical Information

(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
CAS Number1696392-12-7
PubChem CID122384330
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 3-[[4-(2-carbamoylphenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate
Molecular FormulaC29H25N3O7
Molecular Weight527.5
XLogP4.3
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity947
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N)C(=O)OCC5=C(OC(=O)O5)C
InChI
InChI=1S/C29H25N3O7/c1-3-36-28-31-23-10-6-9-22(27(34)37-16-24-17(2)38-29(35)39-24)25(23)32(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26(30)33/h4-14H,3,15-16H2,1-2H3,(H2,30,33)
InChIKey
XLNGXZVKOASTLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-((2'-carbamoyl-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
CAS: 1696392-12-7
CID: 122384330
Formula: C29H25N3O7
MW: 527.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass527.16925015
Monoisotopic Mass527.16925015
Topological Polar Surface Area132 Ų
Heavy Atom Count39
Formal Charge0
Complexity947
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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