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Ropinirole-d7 (hydrochloride)

CAT: 0804-HY-B0623AS1Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0623AS1Size:500 µg
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Description
Ropinirole-d7 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
1261396-31-9
Product Name Alternative
SKF 101468-d7 (hydrochloride)
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
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])C([2H])([2H])C([2H])([2H])N(CCC)CCC1=C2C(NC(C2)=O)=CC=C1.Cl
Molecular Formula
C16H18D7ClN2O
Molecular Weight
303.88
Precautions
H302, H315, H319, H335
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
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Ropinirole-d7 Hydrochloride
CAS Number1261396-31-9
PubChem CID49849863
IUPAC Name4-[2-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]ethyl]-1,3-dihydroindol-2-one;hydrochloride
Molecular FormulaC16H25ClN2O
Molecular Weight303.88
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(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/i1D3,3D2,9D2;
InChIKey
XDXHAEQXIBQUEZ-DWPKPNNESA-N
Chemical Structure
2D Structure
2D structure of Ropinirole-d7 Hydrochloride
CAS: 1261396-31-9
CID: 49849863
Formula: C16H25ClN2O
MW: 303.88
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.88
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass303.2094783
Monoisotopic Mass303.2094783
Topological Polar Surface Area32.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity286
Isotope Atom Count7
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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