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CAS No. 92206-54-7 Density 1.15 g/cm3
PSA 51.71000 LogP 4.26570
Solubility N/A Melting Point N/A
Formula C19H25NOS Boiling Point 470.1 °C at 760 mmHg
Molecular Weight 315.48 Flash Point 238.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 92206-54-7 (Rotigotine) Hazard Symbols N/A

Rotigotine;N 0437;Racemic N 0437;

Article Data 7

Rotigotine Specification

The IUPAC name of Rotigotine is 6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol. With the CAS registry number 92206-54-7, it is also named as 5,6,7,8-Tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthalenol. The product's classification codes are dopamine agents, dopamine agonists and neurotransmitter agents. In addition, its molecular formula is C19H25NOS and molecular weight is 315.47.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 3.61; (5)ACD/BCF (pH 5.5): 4.75; (6)ACD/BCF (pH 7.4): 152.69; (7)ACD/KOC (pH 5.5): 16.26; (8)ACD/KOC (pH 7.4): 523.02; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 40.71 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 94.61 cm3; (15)Molar Volume: 272.3 cm3; (16)Polarizability: 37.5×10-24cm3; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 238.1 °C; (20)Enthalpy of Vaporization: 76.06 kJ/mol; (21)Boiling Point: 470.1 °C at 760 mmHg; (22)Vapour Pressure: 1.84E-09 mmHg at 25 °C.

Uses of Rotigotine: it is a non-ergoline dopamine agonist indicated for the treatment of Parkinson's disease (PD) and restless legs syndrome (RLS) in Europe and the United States. And it has been shown to possess antidepressant effects.

People can use the following data to convert to the molecule structure.
Std. 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

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