Home Other Building Blocks N-Methyl Pantoprazole, mixture of 1 and 3 isomers

N-Methyl Pantoprazole, mixture of 1 and 3 isomers

CAS No.:
624742-53-6
Catalog Number:
AG00EEQK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EEQK
Chemical Name:
N-Methyl Pantoprazole, mixture of 1 and 3 isomers
CAS Number:
624742-53-6
MDL Number:
MFCD18252532
IUPAC Name:
5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole
InChI:
InChI=1S/C17H17F2N3O4S/c1-22-13-5-4-10(26-16(18)19)8-11(13)21-17(22)27(23)9-12-15(25-3)14(24-2)6-7-20-12/h4-8,16H,9H2,1-3H3
InChI Key:
NQWYXCHABHQOMJ-UHFFFAOYSA-N
Properties
Complexity:
519  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.091g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.397g/mol
Monoisotopic Mass:
397.091g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties