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Ropinirole-d3 (hydrochloride)

CAT: 0804-HY-B0623AS2Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0623AS2Size:1 mg
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Description
Ropinirole-d3 hydrochloride is the deuterium labeled Ropinirole hydrochloride[1]. Ropinirole (SKF 101468) hydrochloride is an orally active, potent D3/D2 receptor agonist with a Ki of 29 nM for D2 receptor. Ropinirole hydrochloride has pEC50s of 7.4, 8.4 and 6.8 for hD2, hD3 and hD4 receptors, respectively. Ropinirole hydrochloride has no affinity for the D1 receptors. Ropinirole hydrochloride has the potential for Parkinson's disease[2][3].
CAS Number
1329611-00-8
Product Name Alternative
SKF 101468-d3 (hydrochloride)
UNSPSC
12352005
Target
Dopamine Receptor
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])CCN(CCC)CCC1=C2C(NC(C2)=O)=CC=C1.Cl
Molecular Formula
C16H22D3ClN2O
Molecular Weight
299.85
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Eden, R.J., et al., Preclinical pharmacology of ropinirole (SK& F 101468-A) a novel dopamine D2 agonist. Pharmacol Biochem Behav, 1991. 38 (1) : p. 147-54.|[3]Mavrikaki M, et al. Ropinirole regulates emotionality and neuronal activity markers in the limbic forebrain. Int J Neuropsychopharmacol. 2014 Dec17 (12) :1981-93.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Ropinirole D3 Hydrochloride
CAS Number1329611-00-8
PubChem CID71752102
IUPAC Name4-[2-[propyl(3,3,3-trideuteriopropyl)amino]ethyl]-1,3-dihydroindol-2-one;hydrochloride
Molecular FormulaC16H25ClN2O
Molecular Weight299.85
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity286
SMILES
[2H]C([2H])([2H])CCN(CCC)CCC1=C2CC(=O)NC2=CC=C1.Cl
InChI
InChI=1S/C16H24N2O.ClH/c1-3-9-18(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);1H/i1D3;
InChIKey
XDXHAEQXIBQUEZ-NIIDSAIPSA-N
Chemical Structure
2D Structure
2D structure of Ropinirole D3 Hydrochloride
CAS: 1329611-00-8
CID: 71752102
Formula: C16H25ClN2O
MW: 299.85
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.85
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass299.1843714
Monoisotopic Mass299.1843714
Topological Polar Surface Area32.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity286
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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