Back to Search
Molecule
Omeprazole
CAS: 73590-58-6 · C17H19N3O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 73590-58-6
- Molecular Formula
- C17H19N3O3S
- Molecular Mass
- 345.42 g/mol
Identifiers
CAS Registry Number
73590-58-6
SMILES
COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1
InChI Key
SUBDBMMJDZJVOS-UHFFFAOYSA-N
InChI
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
Names and Synonyms
- Omeprazole Synonym
- Ultop Synonym
- 2-[[(3,5-Dimethyl-4-methoxy-2-pyridyl)methyl]sulfinyl]-5-methoxy-1H-benzimidazole Synonym
- Antra Synonym
- Antra MUPS Synonym
- Omebeta 20 Synonym
- Dizprazol Synonym
- Dudencer Synonym
- Epirazole Synonym
- Gastroloc Synonym
- Gibancer Synonym
- Acidex Synonym
- Desec Synonym
- 1H-Benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]- Synonym
- 1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]- Synonym
- 6-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole Synonym
- Omeprazole Synonym
- H 168/68 Synonym
- Losec Synonym
- Prilosec Synonym
- Audazol Synonym
- Aulcer Synonym
- Belmazol Synonym
- Ceprandal Synonym
- Elgam Synonym
- Emeproton Synonym
- Gastrimut Synonym
- Indurgan Synonym
- Miol Synonym
- Mopral Synonym
- Omapren Synonym
- Ompanyt Synonym
- Parizac Synonym
- Pepticum Synonym
- Prysma Synonym
- Sanamidol Synonym
- Secrepina Synonym
- Ulceral Synonym
- Ulcesep Synonym
- Ulcometion Synonym
- Zimor Synonym
- Omepral Synonym
- Gastrozole Synonym
- (±)-Omeprazole Synonym
- Logastric Synonym
- Lomac Synonym
- Miracid Synonym
- Ocid Synonym
- Omed Synonym
- Omedar Synonym
- OMEP Synonym
- Omepril Synonym
- Omeprazon Synonym
- Omezol Synonym
- Omezzol Synonym
- Omid Synonym
- Omizac Synonym
- Omisec Synonym
- OMP Synonym
- OMZ Synonym
- Oprax Synonym
- Opraz Synonym
- Ozoken Synonym
- Peptilcer Synonym
- Prazidec Synonym
- Ramezol Synonym
- Roweprazol Synonym
- Ulcozol Synonym
- Ulsen Synonym
- Ulzone Synonym
- Zefxon Synonym
- Zoltum Synonym
- Inhibitron Synonym
- Inhipump Synonym
- Omepradex Synonym
- Mepral Synonym
- Omeprazen Synonym
- 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole Synonym
- GastroGard Synonym
- Megazole Synonym
- Omeprol Synonym
- Omeprazole-Towa Synonym
- Ovulanze Synonym
- Omerap Synonym
- Emilok Synonym
- 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole Synonym
- Omelac Synonym
- Petprazol 20 Synonym
- Equiprazole Synonym
- Zegerid Synonym
- Gastroguard Synonym
- RS-omeprazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 345.42 g/mol | CAS Common Chemistry |
| 345.4240000000001 g/mol | RDKit | |
| 345.424 g/mol | RDKit | |
| 346.425 g/mol | chempirical lib | |
| Density | 1.33 g/cm³ | CAS Common Chemistry |
| 1.332 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(C1=NC=2C=CC(OC)=CC2N1)CC3=NC=C(C(OC)=C3C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) | CAS Common Chemistry |
| InChI Key | InChIKey=SUBDBMMJDZJVOS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 156 °C | CAS Common Chemistry |
| Name | Omeprazole | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 77.1 Ų | RDKit |
| LogP | 2.8997400000000004 | RDKit |
| 2.8997 | RDKit | |
| Molar Refractivity | 93.02110000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| Exact Mass | 345.11471246800005 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
Convert
Quick conversion
MW = 345.42 g/mol; density = 1.330 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H19N3O3S.
