2-[[[4-(3-Methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-1H-benzimidazole
Basic information
- CAS
924663-40-1- Standard SMILES
COCCCOc1cc[n+]([O-])c(CSc2nc3ccccc3[nH]2)c1C- InChIKey
CGSOUPMFBQXHAH-UHFFFAOYSA-N- Molecular formula
- C18H21N3O3S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.13036271
Names & identifiers
- Preferred name
- 2-[[[4-(3-Methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-1H-benzimidazole
- IUPAC
- 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidopyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazole
- English name
- Rabeprazole Sulfide N-Oxide
- Molecular formula
- C18H21N3O3S
- Molecular weight
- 359.44
Names & synonyms
924663-40-12-[[[4-(3-Methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-1H-benzimidazole2-(((4-(3-Methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl)methyl)thio)-1H-benzimidazoleRefChem:249063Rabeprazole Sulfide N-Oxide2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidopyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazoleRabeprazole Impurity 14Rabeprazole Sodium Impurity TRabeprazole?sodium Impurity TDTXSID30582521CS-01665622-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-4-(3-methoxypropoxy)-3-methylpyridine 1-oxide? (Rabeprazole Impurity
Show more names
RaBeprazole Impurity 10Rabeprazolesodium Impurity TRabeprazole Sulfide N-Oxide Rabeprazole Sulfide N-Oxide1H-Benzimidazole, 2-[[[4-(3-methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-2-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-4-(3-methoxypropoxy)-3-methylpyridine 1-oxideRabeprazole impurity 12/Rabeprazole Sulfide N-Oxide/2-[[[4-(3-Methoxypropoxy)-3-methyl-1-oxido-2-pyridinyl]methyl]thio]-1H-benzimidazole
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Melting point
- 149 · 149-150 °C(Solv: acetone (67-64-1))
- Boiling point
- 637.5 · 637.5±65.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.5 · 10.50±0.10(Predicted)
- color
- Off-White
- REACH Registrations
- Active
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
- REACH Registrations
- Active
Chemistry & industry
Applications
UsesRabeprazole Sulfide N-Oxide (cas# 924663-40-1) is a compound useful in organic synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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