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Ropinirole-d14 (hydrochloride)

CAT: 0804-HY-B0623AS3Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0623AS3Size:1 mg
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Description
Ropinirole-d14 hydrochloride is deuterated labeled Ropinirole hydrochloride. 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[1][2].
CAS Number
1276197-10-4
Product Name Alternative
SKF 101468-d14 (hydrochloride)
UNSPSC
12352005
Target
Dopamine Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])CCC1=C2C(NC(C2)=O)=CC=C1.Cl
Molecular Formula
C16H11D14ClN2O
Molecular Weight
310.92
References & Citations
[1]Mavrikaki M, et al. Ropinirole regulates emotionality and neuronal activity markers in the limbic forebrain. Int J Neuropsychopharmacol. 2014 Dec;17 (12) :1981-93.|[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]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Ropinirole-d14 hcl (di-n-propyl-d14)
CAS Number1276197-10-4
PubChem CID168476902
IUPAC Name4-[2-[bis(1,1,2,2,3,3,3-heptadeuteriopropyl)amino]ethyl]-1,3-dihydroindol-2-one;hydrochloride
Molecular FormulaC16H25ClN2O
Molecular Weight310.92
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])C([2H])([2H])C([2H])([2H])N(CCC1=C2CC(=O)NC2=CC=C1)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H].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/i1D3,2D3,3D2,4D2,9D2,10D2;
InChIKey
XDXHAEQXIBQUEZ-YDHWZSPUSA-N
Chemical Structure
2D Structure
2D structure of Ropinirole-d14 hcl (di-n-propyl-d14)
CAS: 1276197-10-4
CID: 168476902
Formula: C16H25ClN2O
MW: 310.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.92
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass310.2534156
Monoisotopic Mass310.2534156
Topological Polar Surface Area32.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity286
Isotope Atom Count14
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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