Esomeprazole sodium
Properties
- Molecular formula
- C17H18N3NaO3S
- Molar mass
- 367.40 g/mol
- Exact mass
- 367.0967 Da
- Melting point
- 156 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 77.1 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 5
- Stereocentres
- Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
161796-78-7SMILES
CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Na+]InChIKey
RYXPMWYHEBGTRV-JIDHJSLPSA-NInChI
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./s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1H-Benzimidazole, 6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1)
- 1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt, (S)-
- 1H-Benzimidazole, 5-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt
- H 199/18 Sodium
- S-Omeprazole sodium
- (S)-Omeprazole sodium
- Esomeprazole sodium salt
- (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole sodium salt
Work with Esomeprazole sodium
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Esomeprazole magnesium161973-10-077 % similar
(-)-Omeprazole119141-88-760 % similar
(+)-Omeprazole119141-89-860 % similar
Omeprazole73590-58-660 % similar
Tenatoprazole113712-98-450 % similar
(S)-4-Desmethoxy-4-chloro omeprazole863029-89-447 % similar
Omeprazole sulfide73590-85-946 % similar
Rabeprazole sodium117976-90-645 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.