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Pantoprazole Sodium Impurity 2

CAT: 1299-RM-P201628-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P201628-01Size:10 mg
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CAS Number
957470-59-6
Synonyms
5- (difluoromethoxy) -1- ((3,4-dimethoxypyridin-2-yl) methyl) -2- (((3,4-dimethoxypyridin-2-yl) methyl) sulfinyl) -1H-benzo[d]imidazole
Molecular Formula
C24H24F2N4O6S
Molecular Weight
534.53
Target Alternative Name
Pantoprazole
Product Name Synonym
5- (difluoromethoxy) -1- ((3,4-dimethoxypyridin-2-yl) methyl) -2- (((3,4-dimethoxypyridin-2-yl) methyl) sulfinyl) -1H-benzo[d]imidazole

Chemical Information

N-[(3,4-Dimethoxy-2-pyridinyl)methyl] Pantoprazole
CAS Number957470-59-6
PubChem CID90755788
IUPAC Name5-(difluoromethoxy)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]benzimidazole
Molecular FormulaC24H24F2N4O6S
Molecular Weight534.5
XLogP2.8
Topological Polar Surface Area126
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity745
SMILES
COC1=C(C(=NC=C1)CN2C3=C(C=C(C=C3)OC(F)F)N=C2S(=O)CC4=NC=CC(=C4OC)OC)OC
InChI
InChI=1S/C24H24F2N4O6S/c1-32-19-7-9-27-16(21(19)34-3)12-30-18-6-5-14(36-23(25)26)11-15(18)29-24(30)37(31)13-17-22(35-4)20(33-2)8-10-28-17/h5-11,23H,12-13H2,1-4H3
InChIKey
BQNKFVSAFVWDEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(3,4-Dimethoxy-2-pyridinyl)methyl] Pantoprazole
CAS: 957470-59-6
CID: 90755788
Formula: C24H24F2N4O6S
MW: 534.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.5
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass534.13846200
Monoisotopic Mass534.13846200
Topological Polar Surface Area126 Ų
Heavy Atom Count37
Formal Charge0
Complexity745
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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