Back to Search
Inhibitron
CAS: 73590-58-6 | C17H19N3O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
73590-58-6
Molecular Formula:
C17H19N3O3S
Molecular Weight:
345.4240000000001 g/mol
Names and Synonyms:
Inhibitron
Synonym
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
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
Identifiers:
SMILES:
COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1
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)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 345.42 g/mol | Legacy Database |
| density | 1.33 g/cm³ | Legacy Database |
| cas-canonical-smile | O=S(C1=NC=2C=CC(OC)=CC2N1)CC3=NC=C(C(OC)=C3C)C None | Legacy Database |
| cas-density | 1.332 g/cm3 None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=SUBDBMMJDZJVOS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 156 °C None | Legacy Database |
| cas-name | Omeprazole None | Legacy Database |
| LogP | 2.8997400000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 345.4240000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 345.11471246800005 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 24 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 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 | 77.1 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 93.02110000000005 | RDKit |