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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
Names and Synonyms:
Losartan Potassium
1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, potassium salt (1:1)
1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2′-(1H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, monopotassium salt
DuP 753
Du Pont 753
MK 954
Losartan potassium
Cozaar
Nu-Lotan
Losartan monopotassium salt
Zaart
Losacar
Losium
Aradois
Losartan potassium salt
Losar
Presartan 50
Losata
Tancin
Amosar
Losatan potassium
Potassium 5-(4′-((2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)-[1,1′-biphenyl]-2-yl)tetrazol-1-ide
Identifiers:
SMILES:
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[K]
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);
Key Properties
Melting Point
183.5-184.5 °C
CAS Common Chemistry
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 | 462.02 g/mol | CAS Common Chemistry |
| 462.0180000000001 g/mol | RDKit | |
| 461.1258937160001 g/mol | RDKit | |
| 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 |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 92.51 Ų | RDKit |
| LogP | 3.886000000000003 | RDKit |
| Molar Refractivity | 121.67750000000001 | RDKit |
