Basic information
- CAS
104632-28-2- Standard SMILES
CCCN[C@@H]1CCc2nc(N)sc2C1- InChIKey
FASDKYOPVNHBLU-SSDOTTSWSA-N- Molecular formula
- C10H17N3S
- Average molar mass
- 211.33 g/mol
- Monoisotopic mass
- 211.11431854
Overview
Dexpramipexole is a dopamine agonist.
Names & identifiers
- Preferred name
- Dexpramipexole
- IUPAC
- (6R)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
- English name
- (R)-Pramipexole
- Molecular formula
- C10H17N3S
- Molecular weight
- 211.33
Names & synonyms
Dexpramipexole104632-28-2(R)-PRAMIPEXOLER-(+)-PramipexoleDexpramipexolWI638GUS96(6R)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine(R)-2-Amino-6-Propylamino-4,5,6,7-TetrahydrobenzothiazoleDTXSID50146624(6R)-4,5,6,7-tetrahydro-N6-propyl-2,6-benzothiazole-diaminedexpramipexolumPramipexol, (R)-
Show more names
Pramipexole-2(R)-Pramipexole 2HClDexpramipexole impurityPramipexcole EP impurity DKNS-760704Paramipexole EP Impurity-Dpramipexole impurities1163
RefChem:585864SND919CL2xDTXCID6069115KNS760704(R)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine(6R)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamineMFCD09033169Pramipexole EP Impurity D
Database identifiers
- CAS
104632-28-2- PubChem CID
- 59868
- DTXSID
DTXSID50146624- ChEMBL
CHEMBL249420、CHEMBL3216394- ChEBI
CHEBI:232420- UNII
- WI638GUS96
- EC Number
- 110-340-2
- Nikkaji
- J2.994.449K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 270 · 270-272°C
- Boiling point
- 378 · 378.0±42.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- solubility
- DMSO (Slightly), Methanol (Sparingly, Sonicated), Water (Slightly)
- pka
- 9.47 · 9.47±0.20(Predicted)
- form
- Solid
- color
- White to Pale Yellow
- InChI
- InChI=1S/C10H17N3S/c1-2-4-13-5-3-7-8(6-13)10(12)14-9(7)11/h2-6,11-12H2,1H3
- InChIKey
- RUDWASKCQMKNHV-UHFFFAOYSA-N
- SMILES
- C1(N)=C2CN(CCC)CCC2=C(N)S1
- CAS DataBase Reference
- 104632 · 104632-28-2
- FDA UNII
- 638 GUS96 · WI638GUS96
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Any drugs that are used for their effects on dopamine receptors, on the life cycle of dopamine, or on the survival of dopaminergic neurons.
Applications
Uses(R)-Pramipexole enantiomer. A dopamine-D2-receptor agonist. Antiparkinsonian
UsesThe opposite enantiomer of Pramipexole (P700755), harmacokinetics.
Suppliers100 total
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Related reactions
2 records
Compound notes
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