pantoprazole sodium (CHEBI:50270)

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ChEBI Name	pantoprazole sodium

ChEBI ID	CHEBI:50270

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C16H14F2N3NaO4S

Net Charge

Average Mass

405.35276

Monoisotopic Mass

405.05708

InChI

InChI=1S/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1

InChIKey

YNWDKZIIWCEDEE-UHFFFAOYSA-N

SMILES

[Na+].COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC

Roles Classification
Biological Role(s):	EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that inhibits H+/K+-exchanging ATPase, EC 3.6.3.10. Such compounds are also known as proton pump inhibitors.

Application(s):	anti-ulcer drug One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.

ChEBI Ontology
Outgoing	pantoprazole sodium (CHEBI:50270) has part pantoprazole(1−) (CHEBI:50358) pantoprazole sodium (CHEBI:50270) has role anti-ulcer drug (CHEBI:49201) pantoprazole sodium (CHEBI:50270) has role EC 3.6.3.10 (H⁺/K⁺-exchanging ATPase) inhibitor (CHEBI:49200) pantoprazole sodium (CHEBI:50270) is a organic sodium salt (CHEBI:38700)

IUPAC Name

sodium 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide

Last Modified

24 November 2008