Picoprazole
Basic information
- CAS
78090-11-6- Standard SMILES
COC(=O)c1cc2nc(S(=O)Cc3ncccc3C)[nH]c2cc1C- InChIKey
ASSMECARUIRCML-UHFFFAOYSA-N- Molecular formula
- C17H17N3O3S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.09906259
Overview
inhibits gastric acid secretion by blocking (H+ + K+)ATPase
Names & identifiers
- Preferred name
- Picoprazole
- IUPAC
- methyl 6-methyl-2-[(3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole-5-carboxylate
- English name
- Picoprazole
- Molecular formula
- C17H17N3O3S
- Molecular weight
- 343.4
Names & synonyms
Picoprazole78090-11-6PicoprazolPicoprazolumS882YC38OJ1H-Benzimidazole-5-carboxylic acid, 6-methyl-2-(((3-methyl-2-pyridinyl)methyl)sulfinyl)-, methyl esterRefChem:1741692-((2-(3-methyl)pyridyl-methyl)sulfinyl)-5-methoxycarbonyl-6-methylbenzimidazolePicoprazole [INN]methyl 6-methyl-2-[(3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole-5-carboxylatePicoprazole (INN)1H-Benzimidazole-6-carboxylicacid, 5-methyl-2-[[(3-methyl-2-pyridinyl)methyl]sulfinyl]-, methyl ester
Show more names
1H-Indene-1,3(2H)-dione,5,7-dichloro-6-Methyl-2-[[(3-methyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole-5-carboxylic acid methyl ester1H-Benzimidazole-6-carboxylic acid, 5-methyl-2-[[(3-methyl-2-pyridinyl)methyl]sulfinyl]-, methyl ester
Methyl 6-methyl-2-(((3-methyl-2-pyridyl)methyl)sulfinyl)-5-benzimidazolecarboxylatePicoprazol [INN-Spanish]Picoprazolum [INN-Latin]UNII-S882YC38OJ5-methyl-2-[[(3-methyl-2-pyridinyl)methyl]sulfinyl]-1H-Benzimidazole-6-carboxylic acid Methyl esterSCHEMBL994783H-149/94orb1708855
Database identifiers
- CAS
78090-11-6- PubChem CID
- 71223
- DTXSID
DTXSID80868463- ChEMBL
CHEMBL2106940- UNII
- S882YC38OJ
- Nikkaji
- J126.216E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 490
Experimental & physicochemical properties
LogP2.4
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 882 YC38OJ · S882YC38OJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesPicoprazole is gastric hydrogen ion-potassium ATPase inhibitor.
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Related reactions
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Compound notes
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