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957470-58-5

957470-58-5 | N-[(3,4-Dimethoxy-2-pyridinyl)methyl] pantoprazole sulfide

CAS No: 957470-58-5 Catalog No: AG01E9FU MDL No:

Product Description

Catalog Number:
AG01E9FU
Chemical Name:
N-[(3,4-Dimethoxy-2-pyridinyl)methyl] pantoprazole sulfide
CAS Number:
957470-58-5
IUPAC Name:
5-(difluoromethoxy)-1-[(3,4-dimethoxypyridin-2-yl)methyl]-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]benzimidazole
InChI:
InChI=1S/C24H24F2N4O5S/c1-31-19-7-9-27-16(21(19)33-3)12-30-18-6-5-14(35-23(25)26)11-15(18)29-24(30)36-13-17-22(34-4)20(32-2)8-10-28-17/h5-11,23H,12-13H2,1-4H3
InChI Key:
SHIGRQLNJGLOLF-UHFFFAOYSA-N

Properties

Complexity:
674  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.144g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
518.536g/mol
Monoisotopic Mass:
518.144g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Literature

Title Journal
Structural identification and characterization of potential impurities of pantoprazole sodium. Journal of pharmaceutical and biomedical analysis 20071018

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