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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
2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
RS-lansoprazole
Lanso
Alter
Lanzo
Lansofast
Lansor
Zoton
Suprecid
Promp
Ogastro
2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole
Lansoprazole
2-[3-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethanesulfinyl]-1H-benzoimidazole
Lasoprazole
2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole
2-[[[4-(2,2,2-Trifluoroethoxy)-3-methylpyridin-2-yl]methyl]sulfinyl]-1H-benzimidazole
Lanzopen
Takepron OD
Lansox
Lansophed
Lancid
Ketian
Lanzopral
Lanzol 30
Lanz
Lanston
Lanproton
Lanfast
Prevacid
AG 1749
Levant
Davur
Cinfa
Lanzole
Propilan
Lanzol
Tapepron
Ogast
Ulpax
Takepron
A 65006
2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole
1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-
(±)-Lansoprazol
Lanpro
2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]benzimidazole
Lapraz
Prosogan
Lansopep
Agopton
Ilsatec
Lanzor
PP/K-10
(±)-Lansoprazole

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
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
LogP 3.515220000000001 RDKit

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

Molar

Property Value Source
Molar Refractivity 86.73010000000004 RDKit

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