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125572-92-1

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Basic Information
CAS No.: 125572-92-1
Name: Rotigotine hydrochloride
Article Data: 14
Molecular Structure:
Molecular Structure of 125572-92-1 (Rotigotine hydrochloride)
Formula: C19H25 N O S . Cl H
Molecular Weight: 351.941
PSA: 51.71000
LogP: 5.06770
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Chemistry

Molecular Structure of (R)-5,6,7,8-Tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthalenol hydrochloride (CAS No.125572-92-1):
 
Molecular Formula: C19H26ClNOS
Molecular Weight: 351.93
Systematic Name: 6-[Propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride
CAS No: 125572-92-1
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 40.71 Å2
Flash Point: 238.1 °C
Enthalpy of Vaporization: 76.06 kJ/mol
Boiling Point: 470.1 °C at 760 mmHg
Vapour Pressure: 1.84E-09 mmHg at 25°C
InChI: InChI=1/C19H25NOS.ClH/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;1H
InChIKey: CEXBONHIOKGWNU-UHFFFAOYAA
Std. InChI: InChI=1S/C19H25NOS.ClH/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;1H
Std. InChIKey: CEXBONHIOKGWNU-UHFFFAOYSA-N