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Rotigotine

CAT: 0013-GTR19183599-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19183599-01Size:1 ml x 10 mM (in DMSO)
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Description
Rotigotine is a synthetic dopamine receptor agonist used as an antiparkinson agent. It is employed in research for studying dopaminergic pathways, with applications in both in vitro receptor binding assays and in vivo models of Parkinson's disease and restless legs syndrome.
CAS Number
92206-54-7
Product Name Alternative
Rotigotine, 1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2- (2-thienyl) ethyl]amino]-, DopamineReceptor, Dopamine Receptor, Dopamine
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.84% (May vary between batches)
Solubility
DMSO:55 mg/mL (174.34 mM)
Smiles
OC1=C2C (CC (N (CCC3=CC=CS3) CCC) CC2) =CC=C1
Molecular Formula
C19H25NOS
Molecular Weight
315.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthalenol

6-{propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol is a member of tetralins.

CAS Number92206-54-7
PubChem CID57537
IUPAC Name6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular FormulaC19H25NOS
Molecular Weight315.5
XLogP4.9
Topological Polar Surface Area51.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity337
SMILES
CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O
InChI
InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3
InChIKey
KFQYTPMOWPVWEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthalenol
CAS: 92206-54-7
CID: 57537
Formula: C19H25NOS
MW: 315.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass315.16568559
Monoisotopic Mass315.16568559
Topological Polar Surface Area51.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T6647-01Rotigotine-
RM-R152000-01Rotigotine
A3777-100Rotigotine hydrochloride
HY-A0007-01Rotigotine (Hydrochloride)
HY-15394A-01(Rac) -Rotigotine

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