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| CAS No.: | 104632-26-0 |
|---|---|
| Name: | Pramipexole |
| Molecular Structure: | |
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|
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| Formula: | C10H17N3S |
| Molecular Weight: | 211.331 |
| Synonyms: | Pramipexole(S)-2-Amino-6-propylamino-4,5,6,7-tetrahydrobenzthiazole; |
| EINECS: | 600-593-1 |
| Density: | 1.17 g/cm3 |
| Melting Point: | 288-290 °C |
| Boiling Point: | 378 °C at 760 mmHg |
| Flash Point: | 182.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R36/37/38 |
| PSA: | 79.18000 |
| LogP: | 2.55430 |
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Specification
1. Introduction of Pramipexole
Pramipexole is one kind of off-white solid. The IUPAC name of this chemical is (6S)-6-N-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine. It belongs to classes of All Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. The Classification Code of Pramipexole is Anti-Dyskinesia Agents; Antidepressant; Antioxidants; Antiparkinson agents; Antiparkinsonian; Antischizophrenic; Central Nervous System Agents; Dopamine Agents; Dopamine agonist; Dopamine agonists; Neurotransmitter Agents; Protective Agents. Pramipexole is highly water-soluble but insoluble in dichloromethane. The Pramipexole is also known as 2,6-Benzothiazolediamine,4,5,6,7-tetrahydro-N6-propyl-, (6S)-.
2. Properties of Pramipexole
Physical properties about Pramipexole are:
(1)ACD/LogP: 1.42; (2)ACD/LogD (pH 5.5): -1.97; (3)ACD/LogD (pH 7.4): -0.53; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.6; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 60.3 cm3; (13)Molar Volume: 180.4 cm3; (14)Surface Tension: 53.1 dyne/cm; (15)Density: 1.17 g/cm3; (16)Flash Point: 182.4 °C; (17)Enthalpy of Vaporization: 62.58 kJ/mol; (18)Boiling Point: 378 °C at 760 mmHg; (19)Vapour Pressure: 6.49E-06 mmHg at 25 °C.
3. Structure Descriptors of Pramipexole
You can still convert the following datas into molecular structure:
(1)SMILES: n1c2c(sc1N)C[C@@H](NCCC)CC2
(2)InChI: InChI=1/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
(3)InChIKey: FASDKYOPVNHBLU-ZETCQYMHBT
(4)Canonical SMILES: CCCNC1CCC2=C(C1)SC(=N2)N
(5)Isomeric SMILES: CCCN[C@H]1CCC2=C(C1)SC(=N2)N
4. Preparation of Pramipexole
Pramipexole is prepared by reaction of a cyclohexanone derivative by the following route.
5. Uses of Pramipexole
Pramipexole is a non-ergoline dopamine agonist indicated for treating early-stage Parkinson's disease (PD) and restless legs syndrome (RLS). It has shown robust effects on pilot studies in a placebo-controlled proof of concept study in bipolar disorder. Moreover, it can be used to treat cluster headache, clinical depression and fibromyalgia. It is also sometimes used off-label as a treatment for cluster headache and to counteract problems with sexual dysfunction experienced by some users of selective serotonin reuptake inhibitor (SSRI) antidepressants.