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Molecule
Lansoprazole
CAS: 103577-45-3 · C16H14F3N3O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 103577-45-3
- Molecular Formula
- C16H14F3N3O2S
- Molecular Mass
- 369.37 g/mol
Identifiers
CAS Registry Number
103577-45-3
SMILES
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
InChI Key
MJIHNNLFOKEZEW-UHFFFAOYSA-N
InChI
InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
Names and Synonyms
- Lansoprazole Common Name
- 1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]- Synonym
- 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole Synonym
- AG 1749 Synonym
- Lansoprazole Synonym
- A 65006 Synonym
- (±)-Lansoprazole Synonym
- Prevacid Synonym
- PP/K-10 Synonym
- Lanfast Synonym
- Lanzor Synonym
- 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole Synonym
- Ilsatec Synonym
- Agopton Synonym
- Lanproton Synonym
- Lansopep Synonym
- Lanston Synonym
- Lanz Synonym
- Lanzol 30 Synonym
- Lanzopral Synonym
- Ogastro Synonym
- Promp Synonym
- Prosogan Synonym
- Suprecid Synonym
- Takepron Synonym
- Ulpax Synonym
- Zoton Synonym
- Ketian Synonym
- Lancid Synonym
- Ogast Synonym
- Lansophed Synonym
- Lapraz Synonym
- Lansox Synonym
- Takepron OD Synonym
- Tapepron Synonym
- 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]benzimidazole Synonym
- Lansor Synonym
- Lanzol Synonym
- Lansofast Synonym
- Propilan Synonym
- Lanzole Synonym
- Lanzopen Synonym
- 2-[[[4-(2,2,2-Trifluoroethoxy)-3-methylpyridin-2-yl]methyl]sulfinyl]-1H-benzimidazole Synonym
- Lanpro Synonym
- 2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole Synonym
- Lanzo Synonym
- Cinfa Synonym
- Davur Synonym
- Alter Synonym
- Lanso Synonym
- (±)-Lansoprazol Synonym
- Levant Synonym
- RS-lansoprazole Synonym
- Lasoprazole Synonym
- 2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole Synonym
- 2-[3-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethanesulfinyl]-1H-benzoimidazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 369.37 g/mol | CAS Common Chemistry |
| 369.3680000000001 g/mol | RDKit | |
| 369.368 g/mol | RDKit | |
| 369.361 g/mol | chempirical lib | |
| Canonical SMILES | O=S(C1=NC=2C=CC=CC2N1)CC3=NC=CC(OCC(F)(F)F)=C3C | CAS Common Chemistry |
| InChI | InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=MJIHNNLFOKEZEW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178-182 °C (decomp) | CAS Common Chemistry |
| Name | Lansoprazole | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 67.87 Ų | RDKit |
| LogP | 3.515220000000001 | RDKit |
| 3.5152 | RDKit | |
| 3.18 | chempirical lib | |
| Molar Refractivity | 86.73010000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 369.07588234800005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 369.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H14F3N3O2S.
