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| CAS No.: | 161973-10-0 |
|---|---|
| Name: | Esomeprazole magnesium |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C34H36MgN6O6S2 |
| Molecular Weight: | 713.133 |
| Synonyms: | Magnesium,bis[5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazolato]-,[T-4-(S),(S)]-;(-)-Omeprazole magnesium;(S)-Omeprazole magnesium;H 199/18;Nexium;Perprazole;Raciper; |
| EINECS: | 627-029-7 |
| Boiling Point: | 600 °C at 760 mmHg |
| Flash Point: | 316.7 °C |
| PSA: | 186.82000 |
| LogP: | 6.78900 |
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Chemistry
IUPAC Name: Magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
Synonyms of Magnesium,bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-kO]-1H-benzimidazolato-kN3]-, (T-4)- (CAS NO.161973-10-0): (-)-Omeprazole magnesium ; (S)-Omeprazole magnesium ; Esomeprazole magnesium ; Nexium ; Perprazole
Molecular Structure: 
Molecular Formula: 2(C17H18N3O3S)2.Mg
Molecular Weight: 713.12
CAS NO: 161973-10-0
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 96.31 Å2
Flash Point: 316.7 °C
Enthalpy of Vaporization: 89.31 kJ/mol
Boiling Point: 600 °C at 760 mmHg
Vapour Pressure: 2.35E-14 mmHg at 25°C
Product Categories: Esomeprazole
SMILES: [Mg+2].O=S(c1[n-]c2ccc(OC)cc2n1)Cc3ncc(c(OC)c3C)C.O=S(c1[n-]c2ccc(OC)cc2n1)Cc3ncc(c(OC)c3C)C
InChI: InChI=1/2C17H18N3O3S.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/t2*24-;/m00./s1
InChIKey: KWORUUGOSLYAGD-YPPDDXJEBD
Std. 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/t2*24-;/m00./s1
Std. InChIKey: KWORUUGOSLYAGD-YPPDDXJESA-N