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Molecule
Losartan Potassium
CAS: 124750-99-8 · C22H23ClKN6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 124750-99-8
- Molecular Formula
- C22H23ClKN6O
- Molecular Mass
- 462.02 g/mol
Identifiers
CAS Registry Number
124750-99-8
SMILES
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[K]
InChI Key
FDKIDFYIEWFERB-UHFFFAOYSA-N
InChI
InChI=1S/C22H23ClN6O.K/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 Potassium Common Name
- 1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, potassium salt (1:1) Synonym
- 1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2′-(1H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, monopotassium salt Synonym
- DuP 753 Synonym
- Du Pont 753 Synonym
- MK 954 Synonym
- Losartan potassium Synonym
- Cozaar Synonym
- Nu-Lotan Synonym
- Losartan monopotassium salt Synonym
- Zaart Synonym
- Losacar Synonym
- Losium Synonym
- Aradois Synonym
- Losartan potassium salt Synonym
- Losar Synonym
- Presartan 50 Synonym
- Losata Synonym
- Tancin Synonym
- Amosar Synonym
- Losatan potassium Synonym
- Potassium 5-(4′-((2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)-[1,1′-biphenyl]-2-yl)tetrazol-1-ide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 462.02 g/mol | CAS Common Chemistry |
| 462.0180000000001 g/mol | RDKit | |
| 462.018 g/mol | RDKit | |
| 464.031 g/mol | chempirical lib | |
| Canonical SMILES | [K].ClC=1N=C(N(C1CO)CC=2C=CC(=CC2)C=3C=CC=CC3C4=NN=NN4)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H23ClN6O.K/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=FDKIDFYIEWFERB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 183.5-184.5 °C | CAS Common Chemistry |
| Name | Losartan potassium | CAS Common Chemistry |
| Heavy Atom Count | 31 | 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 | 3.886000000000003 | RDKit |
| 3.886 | RDKit | |
| Molar Refractivity | 121.67750000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 461.1258937160001 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
0 ppm
| 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 = 462.02 g/mol. Edit any field — others recompute live.
