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Chemistry

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Also known as: 863031-24-7, Azilsartan (medoxomil monopotassium), Azilsartan kamedoxomil, Azilsartan medoxomil monopotassium, Bcp11249, Sb19561
Molecular Formula
C30H23KN4O8
Molecular Weight
606.6  g/mol
InChI Key
IHWFKDWIUSZLCJ-UHFFFAOYSA-M

Azilsartan
1 2D Structure

Azilsartan

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
potassium;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-(5-oxo-1-oxa-4-aza-2-azanidacyclopent-3-en-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
2.1.2 InChI
InChI=1S/C30H24N4O8.K/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26;/h4-14H,3,15-16H2,1-2H3,(H,32,33,36);/q;+1/p-1
2.1.3 InChI Key
IHWFKDWIUSZLCJ-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NC(=O)O[N-]5)C(=O)OCC6=C(OC(=O)O6)C.[K+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 863031-24-7

2. Azilsartan (medoxomil Monopotassium)

3. Azilsartan Kamedoxomil

4. Azilsartan Medoxomil Monopotassium

5. Bcp11249

6. Sb19561

7. Hy-17458

8. Potassium;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-(5-oxo-1-oxa-4-aza-2-azanidacyclopent-3-en-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

9. Potassium 3-(4'-((2-ethoxy-7-(((5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy)carbonyl)-1h-benzo[d]imidazol-1-yl)methyl)-[1,1'-biphenyl]-2-yl)-5-oxo-5h-1,2,4-oxadiazol-2-ide

2.3 Create Date
2015-09-21
3 Chemical and Physical Properties
Molecular Weight 606.6 g/mol
Molecular Formula C30H23KN4O8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass606.11529519 g/mol
Monoisotopic Mass606.11529519 g/mol
Topological Polar Surface Area129 Ų
Heavy Atom Count43
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 FDA Pharmacological Classification
4.1.1 Pharmacological Classes
Angiotensin 2 Type 1 Receptor Antagonists [MoA]; Decreased Blood Pressure [PE]; Angiotensin 2 Receptor Blocker [EPC]

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07-Jan-2021
16-Aug-2024
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