chempirical

Esomeprazole sodium

C17H19N3NaO3SCAS 161796-78-7368.41 g/mol

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Salt ratio not recorded. The source lists this compound as the parent acid and the metal without saying how many of each, so the formula and molar mass are for one of each. Check the formula on the supplier's label before you weigh it.
ONSONONHNa
EtherSulfoxide

Properties

Molecular formula
C17H19N3NaO3S
Molar mass
368.41 g/mol
Exact mass
368.1045 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

Identifiers

CAS number
161796-78-7
SMILES
COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.[Na]
InChIKey
HVAJOLFRLWQQQL-JIDHJSLPSA-N
InChI
InChI=1S/C17H19N3O3S.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,(H,19,20);/t24-;/m0./s1

Weigh it out

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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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(-)-Omeprazole119141-88-795 % similar (+)-Omeprazole119141-89-895 % similar Omeprazole73590-58-695 % similar 5-Methoxy-2-[(3,5-dimethyl-2-pyridinyl)-methylsulfinyl]-benzimidazole110374-16-869 % similar Tenatoprazole113712-98-467 % similar Omeprazole sulfide73590-85-963 % similar Omeprazole sulfone88546-55-860 % similar Esomeprazole magnesium161973-10-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Omeprazole sodium95510-70-6

Elsewhere

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