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125572-93-2

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125572-93-2 Structure

125572-93-2 Structure
IdentificationBack Directory
[Name]

(6S)-6-(propyl-(2-thiophen-2-ylethyl)amino)tetralin-1-ol hydrochloride
[CAS]

125572-93-2
[Synonyms]

(6S)-
CS-1395
rotigotine HCl
Rotigotine hydrochloride
hydrochloride hcl powder
CEXBONHIOKGWNU-NUDVEOEASA-N
[2H3]-Rac Rotigotine Hydrochloride Salt
8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]aMino]-
(6S)-6-(propyl-(2-thiophen-2-ylethyl)amino)tetralin-1-ol hydrochloride
(S)-6-(propyl(2-(thiophen-2-yl)ethyl)aMino)-5,6,7,8-tetrahydronaphthalen-1-ol
(6S)-5,6,7,8-Tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthalenolhydrochloride
(S)-5,6,7,8-Tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthalenol hydrochloride
(S)-6-(propyl(2-(thiophen-2-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride
1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]aMino]-, hydrochloride, (6S)-
1-Naphthalenol,5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]aMino]-, hydrochloride (1:1),(6S)-
[EINECS(EC#)]

603-080-0
[Molecular Formula]

C19H26ClNOS
[MDL Number]

MFCD00906149
[MOL File]

125572-93-2.mol
[Molecular Weight]

351.93
Chemical PropertiesBack Directory
[Melting point ]

114-117°C
[density ]

1.2g/cm3 at 20℃
[vapor pressure ]

0-0Pa at 20-25℃
[storage temp. ]

room temp
[solubility ]

Acetone (Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly)
[form ]

solid
[color ]

white to off-white
[Stability:]

Hygroscopic
[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/t16-;/m0./s1
[InChIKey]

CEXBONHIOKGWNU-NTISSMGPSA-N
[SMILES]

Cl.CCCN(CCc1cccs1)[C@H]2CCc3c(O)cccc3C2
[LogP]

3.1 at 20℃ and pH7
[Surface tension]

72.3mN/m at 1g/L and 20℃
Safety DataBack Directory
[WGK Germany ]

2
[REACH Registrations]

Active
[HS Code ]

2934990002
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Solid
[Uses]

It is a non-ergot dopamine agonist drug and is indicated for the treatment of Parkinson’s disease.
[Biochem/physiol Actions]

Rotigotine is a dopamine receptor agonist with preference for D3 receptors over D2 and D1. As such, it is an effective anti-Parkinsonian agent. Racemic rotigotine is about 50 times as potent as quinpirole, the gold standard D2 agonist.
[in vivo]

In primed rats, Rotigotine (N-0923) (0.035, 0.1 and 0.35 mg/kg) induces contralateral turning behavior in a dose dependent manner. In drug naive rats, the turning behavior induced by Rotigotine, either alone or in combination with SCH 39166, is reduced compared to primed rats[3].

[IC 50]

D3 Receptor: 0.71 nM (Ki); D2 Receptor: 4-15 nM (Ki); D5 Receptor: 4-15 nM (Ki); D4 Receptor: 4-15 nM (Ki); D1 Receptor: 83 nM (Ki); α1A: 176 nM (Ki); α1B: 273 nM (Ki); α2A: 338 nM (Ki); α2B: 27 nM (Ki); 5-HT1A Receptor: 30 nM (Ki); 5-HT7 Receptor: 86 nM (Ki)
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

(6S)-6-(propyl-(2-thiophen-2-ylethyl)amino)tetralin-1-ol hydrochloride(125572-93-2)1HNMR
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