Lansoprazole sulfone N-oxide
Basic information
- CAS
1190009-70-1- Standard SMILES
Cc1c(OCC(F)(F)F)cc[n+]([O-])c1CS(=O)(=O)c1nc2ccccc2[nH]1- InChIKey
RQCPAMTYJRPELQ-UHFFFAOYSA-N- Molecular formula
- C16H14F3N3O4S
- Average molar mass
- 401.4 g/mol
Names & identifiers
- Preferred name
- Lansoprazole sulfone N-oxide
- IUPAC
- 2-[[3-methyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methylsulfonyl]-1H-benzimidazole
- English name
- Lansoprazole-d4 Sulfone N-Oxide
- Molecular formula
- C16H14F3N3O4S
- Molecular weight
- 401.36
Names & synonyms
Lansoprazole Sulfone N-Oxide953787-54-7X9YP7UA99M2-[[[3-Methyl-1-oxido-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfonyl]-1H-benzimidazole2-(((3-Methyl-1-oxido-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)sulfonyl)-1H-benzimidazole1H-Benzimidazole, 2-(((3-methyl-1-oxido-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)sulfonyl)-2-(((1H-Benzo(d)imidazol-2-yl)sulfonyl)methyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine 1-oxideRefChem:201428Lansoprazole Sulphone N-Oxide2-[[3-methyl-1-oxido-4-(2,2,2-trifluoroethoxy)pyridin-1-ium-2-yl]methylsulfonyl]-1H-benzimidazole2-[[[3-METHYL-1-OXIDO-4-(2,2,2-TRIFLUOROETHOXY)-PYRIDIN-2-YL]METHYL]SULFONYL]-1H-BENZO[D]IMIDAZOLELansoprazole Sulphone N-Oxide; Lansoprazole Sulfone N-Oxide
Show more names
Lansoprazole-d4 Sulfone N-Oxide[2H4]-Lansoprazole Sulfone N-Oxide
RQCPAMTYJRPELQ-UHFFFAOYSA-NLansoprazoleSulfoneN-OxideUNII-X9YP7UA99MSCHEMBL29669883DTXSID40635355HY-Z7659AKOS030255668FL24842
Database identifiers
- CAS
1190009-70-1- UNII
- X9YP7UA99M
- EC Number
- 642-141-6
- Nikkaji
- J2.667.560J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 613
Physicochemical properties
- solubility
- DMSO, Methanol
- form
- Solid
- color
- Off-White
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Chemistry & industry
Applications
UsesA labelled impurity of Lansoprazole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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