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(S)-(-)-Pantoprazole sodium Specification

The (S)-(-)-Pantoprazole sodium is an organic compound with the formula C16H15F2N3NaO4S. The systematic name of this chemical is 1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, sodium salt. With the CAS registry number 160488-53-9, it is also named as 5-(Difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole sodium. Besides, its molecular weight is 406.359.

Physical properties about (S)-(-)-Pantoprazole sodium are: (1)ACD/LogP: 1.69; (2)#H bond acceptors: 7; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 94.68 Å2; (6)Flash Point: 308.7 °C; (7)Enthalpy of Vaporization: 87.64 kJ/mol; (8)Boiling Point: 586.9 °C at 760 mmHg; (9)Vapour Pressure: 9.37E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C16H15F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3,(H,20,21);/q;+1
(2)InChIKey: ZKKOMTONFBNXHC-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C16H15F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3,(H,20,21);/q;+1
(4)Std. InChIKey: ZKKOMTONFBNXHC-UHFFFAOYSA-N

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