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Azilsartan - Bio-X TM

CAT: 0926-BA164233Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-BA164233Size:50 mg
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CAS Number
147403-03-0
Synonyms
1-[[2'- (2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl) [1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-1H-benzimidazole-7-carboxylic acid;2-Ethoxy-1-[ [2′- (4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid
MDL Number
MFCD20278186
Smiles
CCOC1=NC2=CC=CC (=C2N1CC3=CC=C (C=C3) C4=CC=CC=C4C5=NOC (=O) N5) C (=O) O
Molecular Formula
C25H20N4O5
Molecular Weight
456.45 g/mol
Controlled
No

Chemical Information

Azilsartan

Azilsartan is a benzimidazolecarboxylic acid that is benzimidazole-7-carboxylic acid substituted at position 2 by a methoxy group and at position 1 by a 2'-[(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl group. Used (as the prodrug, azilsartan medoxomil) for treatment of hypertension. It has a role as an antihypertensive agent and an angiotensin receptor antagonist. It is an aromatic ether, a benzimidazolecarboxylic acid and a 1,2,4-oxadiazole.

CAS Number147403-03-0
PubChem CID135415867
IUPAC Name2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Molecular FormulaC25H20N4O5
Molecular Weight456.4
XLogP4.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity783
SMILES
CCOC1=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)
InChIKey
KGSXMPPBFPAXLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azilsartan
CAS: 147403-03-0
CID: 135415867
Formula: C25H20N4O5
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass456.14336975
Monoisotopic Mass456.14336975
Topological Polar Surface Area115 Ų
Heavy Atom Count34
Formal Charge0
Complexity783
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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474194TAK 285 - Bio-X
HY-14914-01Azilsartan

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