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Molecule
Azilsartan Kamedoxomil
CAS: 863031-24-7 · C30H24KN4O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 863031-24-7
- Molecular Formula
- C30H24KN4O8
- Molecular Mass
- 607.64 g/mol
Identifiers
CAS Registry Number
863031-24-7
SMILES
CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1.[K]
InChI Key
MIJNRHZSZJLCAG-UHFFFAOYSA-N
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);
Names and Synonyms
- Azilsartan Kamedoxomil Common Name
- 1H-Benzimidazole-7-carboxylic acid, 1-[[2′-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1′-biphenyl]-4-yl]methyl]-2-ethoxy-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, potassium salt (1:1) Synonym
- 1H-Benzimidazole-7-carboxylic acid, 1-[[2′-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1′-biphenyl]-4-yl]methyl]-2-ethoxy-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, potassium salt Synonym
- Azilsartan kamedoxomil Synonym
- Azilsartan medoxomil monopotassium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 607.64 g/mol | CAS Common Chemistry |
| 607.6400000000002 g/mol | RDKit | |
| 609.656 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=C1OC(=C(O1)COC(=O)C2=CC=CC=3N=C(OCC)N(C32)CC=4C=CC(=CC4)C=5C=CC=CC5C6=NOC(=O)N6)C | CAS Common Chemistry |
| 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); | CAS Common Chemistry |
| InChI Key | InChIKey=MIJNRHZSZJLCAG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Azilsartan kamedoxomil | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| 10 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 155.59 Ų | RDKit |
| LogP | 4.3244200000000035 | RDKit |
| 4.3244 | RDKit | |
| Molar Refractivity | 154.85419999999968 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| Exact Mass | 607.123120408 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 607.64 g/mol. Edit any field — others recompute live.
