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Azilsartan D5 10mg

CAT: 0628-A21600-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A21600-10Size:10 mg
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CAS Number
1346599-45-8

Chemical Information

Azilsartan-d5
CAS Number1346599-45-8
PubChem CID136257809
IUPAC Name3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzimidazole-4-carboxylic acid
Molecular FormulaC25H20N4O5
Molecular Weight461.5
XLogP4.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity783
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O
InChI
InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)/i1D3,2D2
InChIKey
KGSXMPPBFPAXLY-ZBJDZAJPSA-N
Chemical Structure
2D Structure
2D structure of Azilsartan-d5
CAS: 1346599-45-8
CID: 136257809
Formula: C25H20N4O5
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass461.17475348
Monoisotopic Mass461.17475348
Topological Polar Surface Area115 Ų
Heavy Atom Count34
Formal Charge0
Complexity783
Isotope Atom Count5
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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CatalogName
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