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Ropinirole N-Oxide

CAT: 0572-TRC-R441015-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R441015-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1076199-41-1
Synonyms
2H-Indol-2-one, 1,3-dihydro-4-[2-(oxidodipropylamino)ethyl]-; Ropinirole N-Oxide
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCC[N+]([O-])(CCC)CCc1cccc2NC(=O)Cc12
Molecular Formula
C16 H24 N2 O2
Molecular Weight
276.37
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)
Additionnal Information
IUPAC name: N-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl]-N-propylpropan-1-amine oxide
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

Ropinirole N-Oxide
CAS Number1076199-41-1
PubChem CID29986985
IUPAC NameN-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl]-N-propylpropan-1-amine oxide
Molecular FormulaC16H24N2O2
Molecular Weight276.37
XLogP2.1
Topological Polar Surface Area47.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity326
SMILES
CCC[N+](CCC)(CCC1=C2CC(=O)NC2=CC=C1)[O-]
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
Chemical Structure
2D Structure
2D structure of Ropinirole N-Oxide
CAS: 1076199-41-1
CID: 29986985
Formula: C16H24N2O2
MW: 276.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.37
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass276.183778013
Monoisotopic Mass276.183778013
Topological Polar Surface Area47.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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