Omeprazole magnesium

C₃₄H₃₆MgN₆O₆S₂CAS 95382-33-5713.12 g/mol

Open in Covalent MOL file

Ether Sulfoxide

Properties

Molecular formula: C₃₄H₃₆MgN₆O₆S₂
Molar mass: 713.12 g/mol
Exact mass: 712.1988 Da
logP: 4.68Crippen estimate
Polar surface area: 150.8 Å²
H-bond donors / acceptors: 0 / 10
Rotatable bonds: 10

Hazards

Warning

H302 Harmful if swallowed53% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H412 Harmful to aquatic life with long lasting effects98.5% of notifiers

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

95382-33-5

SMILES

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[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

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Omeprazole 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.

Esomeprazole magnesium trihydrate217087-09-7Hydrate, defined stereoisomer Esomeprazole sodium161796-78-7Salt, defined stereoisomer Omeprazole sodium95510-70-6Salt Esomeprazole magnesium161973-10-0

Similar compounds

(-)-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 Omeprazole sulfone88546-55-845 % similar 5-Methoxy-2-[(3,5-dimethyl-2-pyridinyl)-methylsulfinyl]-benzimidazole110374-16-842 % similar

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

Elsewhere

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