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Olmesartan
CAS: 144689-24-7 | C24H26N6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
144689-24-7
Molecular Formula:
C24H26N6O3
Molecular Mass:
446.51 g/mol
Names and Synonyms:
Olmesartan
1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-
1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2′-(1H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-
4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid
RNH 6270
Olmesartan
CS 088
Olmetor
Identifiers:
SMILES:
CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI:
InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 446.51 g/mol | CAS Common Chemistry |
| 446.5110000000001 g/mol | RDKit | |
| 446.2066386920001 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=C(N=C(N1CC=2C=CC(=CC2)C=3C=CC=CC3C4=NN=NN4)CCC)C(O)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29) | CAS Common Chemistry |
| InChI Key | InChIKey=VTRAEEWXHOVJFV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Olmesartan | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 129.81 Ų | RDKit |
| LogP | 3.656600000000002 | RDKit |
| Molar Refractivity | 122.57780000000001 | RDKit |
