Ropinirole N-Oxide
Basic information
- CAS
1076199-41-1- Standard SMILES
CCC[N+]([O-])(CCC)CCc1cccc2c1CC(=O)N2- InChIKey
SJMLCCMLUAJRSX-UHFFFAOYSA-N- Molecular formula
- C16H24N2O2
- Average molar mass
- 276.37 g/mol
- Monoisotopic mass
- 276.18377801
Names & identifiers
- Preferred name
- Ropinirole N-Oxide
- IUPAC
- N-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl]-N-propylpropan-1-amine oxide
- English name
- Ropinirole N-Oxide
- Molecular formula
- C16H24N2O2
- Molecular weight
- 276.37
Names & synonyms
Ropinirole N-Oxide1076199-41-1N-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl]-N-propylpropan-1-amine oxideN-(2-(2-oxoindolin-4-yl)ethyl)-N-propylpropan-1-amine oxide1,3-Dihydro-4-[2-(oxidodipropylamino)ethyl]-2H-indol-2-one2H-Indol-2-one, 1,3-dihydro-4-[2-(oxidodipropylamino)ethyl]-; Ropinirole N-OxideRopinorole N-OxideECH7FR9QUDorb3214994DTXSID10652675MFCD09841023AKOS030255778
Show more names
Ropinirole N-Oxide HClRopiniero nitrogen oxide.Ropinirole Impurity 9(Ropinirole N-Oxide)4-[2-(Dipropylamino)ethyl]-2-indolinone n-oxide monohydrochloride
A1-06494N-[2-(2-oxoindolin-4-yl)ethyl]-N-propyl-propan-1-amine oxide2H-Indol-2-one, 1,3-dihydro-4-[2-(oxidodipropylamino)ethyl]-Ropinirole N-Oxide (>90%) (may contain up to 10% Hydrogen Peroxide)N-[2-(2-Oxo-2,3-dihydro-1H-indol-4-yl)ethyl]-N-propylpropan-1-amine N-oxide
Database identifiers
- CAS
1076199-41-1- PubChem CID
- 29986985
- DTXSID
DTXSID10652675- UNII
- ECH7FR9QUD
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 47.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 38 · 38-40°C
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform, Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 13.97 · 13.97±0.20(Predicted)
- color
- Off-White to Yellow
- Stability
- Hygroscopic and Temperature Sensitive
- InChI
- InChI=1S/C16H24N2O2/c1-3-9-18(20,10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
- InChIKey
- SJMLCCMLUAJRSX-UHFFFAOYSA-N
- SMILES
- N1C2=C(C(CC[N+]([O-])(CCC)CCC)=CC=C2)CC1=O
Chemistry & industry
Applications
UsesReference standard.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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