Back to Search
Lansoprazole
CAS: 103577-45-3 | C16H14F3N3O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103577-45-3
Molecular Formula:
C16H14F3N3O2S
Molecular Weight:
369.3680000000001 g/mol
Names and Synonyms:
Lansoprazole
Common Name
2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
Synonym
RS-lansoprazole
Synonym
Lanso
Synonym
Alter
Synonym
Lanzo
Synonym
Lansofast
Synonym
Lansor
Synonym
Zoton
Synonym
Suprecid
Synonym
Promp
Synonym
Ogastro
Synonym
2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole
Synonym
Lansoprazole
Synonym
2-[3-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethanesulfinyl]-1H-benzoimidazole
Synonym
Lasoprazole
Synonym
2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole
Synonym
2-[[[4-(2,2,2-Trifluoroethoxy)-3-methylpyridin-2-yl]methyl]sulfinyl]-1H-benzimidazole
Synonym
Lanzopen
Synonym
Takepron OD
Synonym
Lansox
Synonym
Lansophed
Synonym
Lancid
Synonym
Ketian
Synonym
Lanzopral
Synonym
Lanzol 30
Synonym
Lanz
Synonym
Lanston
Synonym
Lanproton
Synonym
Lanfast
Synonym
Prevacid
Synonym
AG 1749
Synonym
Levant
Synonym
Davur
Synonym
Cinfa
Synonym
Lanzole
Synonym
Propilan
Synonym
Lanzol
Synonym
Tapepron
Synonym
Ogast
Synonym
Ulpax
Synonym
Takepron
Synonym
A 65006
Synonym
2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole
Synonym
1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-
Synonym
(±)-Lansoprazol
Synonym
Lanpro
Synonym
2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]benzimidazole
Synonym
Lapraz
Synonym
Prosogan
Synonym
Lansopep
Synonym
Agopton
Synonym
Ilsatec
Synonym
Lanzor
Synonym
PP/K-10
Synonym
(±)-Lansoprazole
Synonym
Identifiers:
SMILES:
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
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)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 369.3680000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 369.07588234800005 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 25 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 67.87 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.515220000000001 | RDKit |
| molecular_mass | 369.37 g/mol | Legacy Database |
| cas-canonical-smile | O=S(C1=NC=2C=CC=CC2N1)CC3=NC=CC(OCC(F)(F)F)=C3C None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=MJIHNNLFOKEZEW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 178-182 °C (decomp) None | Legacy Database |
| cas-name | Lansoprazole None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 86.73010000000004 | RDKit |