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Molecule
Losartan
CAS: 114798-26-4 · C22H23ClN6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 114798-26-4
- Molecular Formula
- C22H23ClN6O
- Molecular Mass
- 422.92 g/mol
Identifiers
CAS Registry Number
114798-26-4
SMILES
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChI Key
PSIFNNKUMBGKDQ-UHFFFAOYSA-N
InChI
InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
Names and Synonyms
- Losartan Synonym
- Lozap Synonym
- Xartan Synonym
- 1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]- Synonym
- 1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2′-(1H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]- Synonym
- 2-Butyl-4-chloro-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-methanol Synonym
- DUP 89 Synonym
- Losartan Synonym
- Lortaan Synonym
- 2-Butyl-4-chloro-1-[[2′-(1H-tetrazol-5-yl)-1,1′-biphenyl-4-yl]methyl]-1H-imidazole-5-methanol Synonym
- Angizaar Synonym
- Allisartan Synonym
- 1-[1-[[2′-(2H-Tetrazol-5-yl)biphenyl-4-yl]methyl]-2-butyl-4-chloro-1H-imidazol-5-yl]methanol Synonym
- [2-Butyl-5-chloro-3-[2′-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazol-4-yl]-methanol Synonym
- [2-Butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol Synonym
- [2-Butyl-4-chloro-1-([4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl)-1H-imidazol-5-yl]methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 422.92 g/mol | CAS Common Chemistry |
| 422.9200000000001 g/mol | RDKit | |
| 423.925 g/mol | chempirical lib | |
| Name | Losartan | CAS Common Chemistry |
| Canonical SMILES | ClC=1N=C(N(C1CO)CC=2C=CC(=CC2)C=3C=CC=CC3C4=NN=NN4)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | CAS Common Chemistry |
| InChI Key | InChIKey=PSIFNNKUMBGKDQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 184 °C | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| 5 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 92.51 Ų | RDKit |
| 84.35 Ų | chempirical lib | |
| LogP | 4.2668000000000035 | RDKit |
| 4.2668 | RDKit | |
| Molar Refractivity | 115.9235 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 422.16218703600015 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 422.92 g/mol. Edit any field — others recompute live.
