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Pantoprazole Sulfone

CAT: 0572-TRC-P183016-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P183016-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127780-16-9
Synonyms
Pantoprazole Sodium Sesquihydrate Imp. A (EP); Pantoprazole Imp. A (EP); Pantoprazole USP Related Compound A; Pantoprazole USP RC A; 5-(Difluoromethoxy)-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulphonyl]-1H-benzimidazole; Pantoprazole Sulphone; Pantoprazole Related Compound A; Pantoprazole Sodium Impurity A; Pantoprazole Sodium Sesquihydrate Impurity A; Pantoprazole Impurity A; Pantoprazole Impurity A
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
COc1ccnc(CS(=O)(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC
Molecular Formula
C16 H15 F2 N3 O5 S
Molecular Weight
399.37
InChI
InChI=1S/C16H15F2N3O5S/c1-24-13-5-6-19-12(14(13)25-2)8-27(22,23)16-20-10-4-3-9(26-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
Additionnal Information
IUPAC name: 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1H-benzimidazole
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-Difluoromethoxy-2-((3,4 dimethoxy-2-pyridyl)methylsulfonyl)-1H-benzimidazole

1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfonyl]- is a sulfoxide and a member of benzimidazoles.

CAS Number127780-16-9
PubChem CID195546
IUPAC Name6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfonyl]-1H-benzimidazole
Molecular FormulaC16H15F2N3O5S
Molecular Weight399.4
XLogP2.4
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity591
SMILES
COC1=C(C(=NC=C1)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC
InChI
InChI=1S/C16H15F2N3O5S/c1-24-13-5-6-19-12(14(13)25-2)8-27(22,23)16-20-10-4-3-9(26-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
InChIKey
FCJYMBZQIJDMMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Difluoromethoxy-2-((3,4 dimethoxy-2-pyridyl)methylsulfonyl)-1H-benzimidazole
CAS: 127780-16-9
CID: 195546
Formula: C16H15F2N3O5S
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass399.07004809
Monoisotopic Mass399.07004809
Topological Polar Surface Area112 Ų
Heavy Atom Count27
Formal Charge0
Complexity591
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5797649Pantoprazole sulfone
sc-477779Pantoprazole-d3 Sulfone
sc-478121Pantoprazole-d7 Sulfone
HY-W709055Pantoprazole sulfone-d6 (major)
CS-O-05993Pantoprazole Sulfone N-Oxide
462021-01Pantoprazole-d5 Sulfone (Major)
sc-498963N-[ (3,4-Dimethoxy-2-pyridinyl) methyl] Pantoprazole Sulfone
T6928-01Pantoprazole

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