Molecular Identity
Pantoprazole
6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
PubChem CID: 4679
Pantoprazole is a member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2. It has a role as a xenobiotic, an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor, an anti-ulcer drug and an environmental contaminant. It is a sulfoxide, a member of benzimidazoles, a member of pyridines, an aromatic ether and an organofluorine compound. It is a conjugate acid of a pantoprazole(1-).
2D Structure
Properties
C16H15F2N3O4S
Molecular Formula
383.40
Molecular Weight
g/mol
383.0751
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
490
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OCIsomeric SMILES
SMILES: COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OCSynonyms(20)
pantoprazole102625-70-7PantozolPantoprazolPantoprazolumPantolocBY-1023SK&F-96022AltopanZovantaSK&F 96022SKF-96022DTXSID4023416SK-96022NSC-759257
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pantoprazole
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