Esomeprazole magnesium

C34H36MgN6O6S2CAS 161973-10-0713.12 g/mol

Open in Covalent MOL file
ONSONON−ONSONON−Mg2+
EtherSulfoxide

Properties

Molecular formula
C34H36MgN6O6S2
Molar mass
713.12 g/mol
Exact mass
712.1988 Da
logP
4.68Crippen estimate
Polar surface area
150.8 Ų
H-bond donors / acceptors
0 / 10
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number
161973-10-0
SMILES
COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[n-]c2c1.COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[n-]c2c1.[Mg+2]
InChIKey
KWORUUGOSLYAGD-UHFFFAOYSA-N
InChI
InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2

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Names and synonyms

9 names
  • Magnesium, bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-κO]-1H-benzimidazolato-κN3]-, (T-4)-
  • Magnesium, bis[5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazolato]-, [T-4-(S),(S)]-
  • (T-4)-Bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-κO]-1H-benzimidazolato-κN3]magnesium
  • H 199/18
  • Nexium
  • (-)-Omeprazole magnesium
  • (S)-Omeprazole magnesium
  • Perprazole
  • Raciper

Work with Esomeprazole magnesium

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

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.

Omeprazole73590-58-6Parent compound (-)-Omeprazole119141-88-7Parent compound, defined stereoisomer (+)-Omeprazole119141-89-8Parent compound, defined stereoisomer Omeprazole magnesium95382-33-5

Similar compounds

Esomeprazole magnesium trihydrate217087-09-782 % similar Esomeprazole sodium161796-78-777 % similar Omeprazole sodium95510-70-677 % similar Tenatoprazole113712-98-452 % similar (S)-4-Desmethoxy-4-chloro omeprazole863029-89-449 % similar Omeprazole sulfide73590-85-949 % similar Omeprazole sulfone88546-55-847 % similar 5-Methoxy-2-[(3,5-dimethyl-2-pyridinyl)-methylsulfinyl]-benzimidazole110374-16-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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