5-Hydroxylansoprazole
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Basic information
- CAS
131926-98-2- Standard SMILES
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccc(O)cc2[nH]1- InChIKey
IDCLTMRSSAXUNY-UHFFFAOYSA-N- Molecular formula
- C16H14F3N3O3S
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.07079698
Overview
structure in first source
Names & identifiers
- Preferred name
- 5-Hydroxylansoprazole
- IUPAC
- 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-3H-benzimidazol-5-ol
- English name
- 5-HYDROXY LANSOPRAZOLE
- Molecular formula
- C16H14F3N3O3S
- Molecular weight
- 385.36
Names & synonyms
5-HYDROXYLANSOPRAZOLE131926-98-25-Hydroxy lansoprazoleAG-1908N5ROU3WS911H-Benzimidazol-6-ol, 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)sulfinyl)-RefChem:913454M-VIhydroxylansoprazoleAG1908UNII-N5ROU3WS915-HydroxyELansoprazole
Show more names
Lansoprazole 5-HydroxyLansoprazole Impurity 18Lansoprazole 5-Hydroxy Impurity5-Hydroxy Lansoprazole >90% DISCONTINUED. See H9437111-(1H-benzo[d]imidazol-2-yl)-2,3-dimethyl-4-(2,2,2- trifluoroethoxy)pyridin-1-ium2-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]-1H-benzimidazole-5-ol2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-3H-benzimidazol-5-ol
starbld00095075-Hydroxy Lansoprazole >90%SCHEMBL5661872SCHEMBL7618399SCHEMBL29350399IDCLTMRSSAXUNY-UHFFFAOYSA-NDISCONTINUED. See H943711ARD193667
Database identifiers
- CAS
131926-98-2- PubChem CID
- 9800271
- UNII
- N5ROU3WS91
- Nikkaji
- J366.138E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 511
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Lansoprazole
Physicochemical properties
- Melting point
- 155 °C · >155°C (dec.)
- storage temp.
- -86 °C · -86°C Freezer
- solubility
- DMSO, Methanol
- form
- Solid, Colour Varies
- color
- White to off-white
- FDA UNII
- 5 ROU3WS91 · N5ROU3WS91
Chemistry & industry
Pharmacology
Metabolism/Metabolites5-Hydroxylansoprazole is a known human metabolite of lansoprazole.
Tissue LocationsKidney
Cellular LocationsExtracellular
Metabolite PathwaysLansoprazole Action Pathway
Applications
UsesA metabolite of Lansoprazole, as gastric pump in hibitor
UsesA metabolite of Lansoprazole, as gastric pump inhibitor.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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