Finished Dosage Form (FDF) export of Pantoprazole Magnesium obtained from Indian Custom Trade Statistics

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Chemistry

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Also known as: Magnesium pantoprazole, Pantoprazole hemimagnesium, 1022083-88-0, 1al13b11r4, 199387-73-0, Unii-1al13b11r4
Molecular Formula
C32H28F4MgN6O8S2
Molecular Weight
789.0  g/mol
InChI Key
RDRUTBCDIVCMMX-UHFFFAOYSA-N
FDA UNII
1AL13B11R4

Pantoprazole Magnesium
1 2D Structure

Pantoprazole Magnesium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
magnesium;5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
2.1.2 InChI
InChI=1S/2C16H14F2N3O4S.Mg/c2*1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h2*3-7,15H,8H2,1-2H3;/q2*-1;+2
2.1.3 InChI Key
RDRUTBCDIVCMMX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C(=NC=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC(F)F)OC.COC1=C(C(=NC=C1)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC(F)F)OC.[Mg+2]
2.2 Other Identifiers
2.2.1 UNII
1AL13B11R4
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Magnesium Pantoprazole

2. Pantoprazole Hemimagnesium

3. 1022083-88-0

4. 1al13b11r4

5. 199387-73-0

6. Unii-1al13b11r4

7. Pantoprazolemagnesium

8. Amy22223

9. Pantoprazole Magnesium [who-dd]

10. Q27252161

2.4 Create Date
2013-07-08
3 Chemical and Physical Properties
Molecular Weight 789.0 g/mol
Molecular Formula C32H28F4MgN6O8S2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count20
Rotatable Bond Count14
Exact Mass788.1196586 g/mol
Monoisotopic Mass788.1196586 g/mol
Topological Polar Surface Area182 Ų
Heavy Atom Count53
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

API Reference Price

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08-Jan-2021
27-Jul-2024
KGS
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