Substance
- Substance Name: Esomeprazole sodium
- Formula: C17H18N3NaO3S
- Molecular Weight: 367.4 g/mol
- Identifiers:
- inchi: InChI=1S/C17H18N3O3S.Na/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;/q-1;+1/t24-;/m0./s1
- inchikey: RYXPMWYHEBGTRV-JIDHJSLPSA-N
- csmiles: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Na+]
- ismiles: CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Na+]
- pubchemId: 11383019
- iupacname: sodium;5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
- casrn: 161796-78-7
- wikidataId: Q27282619
- chemspiderId: 9557932
- dsstoxcmpId: DTXCID601333773
- chemblId: CHEMBL1200470
- ecnumber: 620-470-6
Esomeprazole sodium
Systems and Datasets
- ethyl acetate + Esomeprazole sodium (Datasets: 1)
- Dataset 1 in paper 10.1021/acs.jced.6b01044 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- acetonitrile + Esomeprazole sodium (Datasets: 1)
- Dataset 2 in paper 10.1021/acs.jced.6b01044 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- 4-methylpentan-2-one + Esomeprazole sodium (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.6b01044 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- ethanol + Esomeprazole sodium (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.6b01044 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- methanol + Esomeprazole sodium (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.6b01044 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- ethanol + ethyl acetate + Esomeprazole sodium (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.6b01044 (Dataseries: 8, Datapoints: 88, Quantity: Mole fraction)