Name: Name:Pantoprazole N-Oxide
Brand: Angene
SKU: AG003TJW
Rating: 90 (10 reviews)

Pantoprazole N-Oxide

CAS No.:

953787-60-5

Catalog Number:

AG003TJW

Molecular Formula:

C16H15F2N3O5S

Molecular Weight:

399.3692

Catalog Number:

AG003TJW

Chemical Name:

Pantoprazole N-Oxide

CAS Number:

953787-60-5

Molecular Formula:

C16H15F2N3O5S

Molecular Weight:

399.3692

MDL Number:

MFCD09841142

IUPAC Name:

6-(difluoromethoxy)-2-[(3,4-dimethoxy-1-oxidopyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazole

InChI:

InChI=1S/C16H15F2N3O5S/c1-24-13-5-6-21(22)12(14(13)25-2)8-27(23)16-19-10-4-3-9(26-15(17)18)7-11(10)20-16/h3-7,15H,8H2,1-2H3,(H,19,20)

InChI Key:

BHJURHFGXQKOST-UHFFFAOYSA-N

SMILES:

COc1c(OC)cc[n+](c1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F)[O-]

Complexity:

520

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

399.07g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

399.369g/mol

Monoisotopic Mass:

399.07g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4