Structure of Rotigotine hydrochloride CAS 99755-59-6 (125572-93-2)

Rotigotine hydrochloride CAS 99755-59-6 (125572-93-2)

Identification

Name

Rotigotine hydrochloride

CAS Number

99755-59-6 (125572-93-2)

Synonyms

(−)-(S)-5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol hydrochloride
(−)-N 0437
N 0923
Neupro
SPM 962
(6S)-6-{Propyl[2-(2-thienyl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride (1:1)
(6S)-6-{propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride (1:1)
1-Naphthalenol, 5,6,7,8-tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-, hydrochloride, (S)-
1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-, (6S)-, hydrochloride (1:1)
(-)-5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol hydrochloride
(6S)-5,6,7,8-Tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthalenol hydrochloride
(6S)-6-(propyl-(2-thiophen-2-ylethyl)amino)tetralin-1-ol hydrochloride
(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride
(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,(s)-
5-HYDROXY-2-(N-PROPYL-N-2-(2-THIENYL)ETHYLAMINO)-TETRALIN HYDROCHLORIDE,L-
rotigotine HCl
Rotigotine hydrochloride

Molecular Structure

Structure of Rotigotine hydrochloride CAS 99755-59-6 (125572-93-2)

SMILES

[Cl-].Oc1cccc3c1CC[C@H]([NH+](CCC)CCc2sccc2)C3

StdInChI

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

StdInChIKey

CEXBONHIOKGWNU-NTISSMGPSA-N

Molecular Formula

C19H25NOS.HCl

Molecular Weight

351.93

MDL Number

MFCD00906149

Properties

Appearance

White or almost white powder

Solubility

DMSO:>10 mg/mL

Safety Data

Symbol

exclamation-mark-jpgGHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Codes (Europe)

Xn

Risk Statements (Europe)

22

WGK Germany

2

Specifications and Other Information of Our Rotigotine hydrochloride CAS 99755-59-6 (125572-93-2)

Purity

97.0%min(By HPLC)

Identification Method

IR, HPLC

Optical Rotation

-50°–55°

Related Substances

3.0% max

Known Application

is a dopamine agonist of the non-ergoline class of medications indicated for the treatment of Parkinson’s disease (PD) and Willis-Ekbom Disease (WED) formerly known as restless legs syndrome (RLS) in Europe and the United States.

Productivity

100kg/month

Package

5kg/bag

Storage

Stored under room temperature away from light

General View of Documents

Rotigotine hydrochloride CAS 99755-59-6 (125572-93-2) HPLC

Rotigotine hydrochloride CAS 99755-59-6 (125572-93-2) HPLC

Available Intermediates

Impurity 1: Rotigotine

CAS: 92206-54-7
Structure:
Structure of Rotigotine CAS 92206-54-7
Appearance: White or almost white solid
Purity: 97.0%min
Related Substances: 3.0% max

Impurity 2: (6S)-(-)-5-Hydroxy-N-propyl-2-aminotetralin hydrobromide

CAS: 165950-84-5
Structure:
Structure of (6S)-(-)-5-Hydroxy-N-propyl-2-aminotetralin hydrobromide CAS 165950-84-5
Appearance: White or almost white powder
Purity: 95.0%min
Related Substances: 5.0% max

Impurity 3: (S)-1,2,3,4-Tetrahydro-5-methoxy-N-propyl-2-naphthalenamine

CAS: 93601-86-6
Structure:
Structure of (S)-1,2,3,4-Tetrahydro-5-methoxy-N-propyl-2-naphthalenamine CAS 93601-86-6
Appearance: White or almost white powder
Purity: 95%.0min
Related Substances: 5.0% max

Impurity 4: 2-(2-Thienyl)ethyl 4-methylbenzenesulfonate

CAS: 40412-06-4
Structure:
Structure of 2-(2-Thienyl)ethyl 4-methylbenzenesulfonate CAS 40412-06-4
Appearance: White or almost white solid
Purity: 98.0%min
Related Substances: 2.0% max
Single Impurity: 0.5% max

Impurity 5: 5-Methoxy-2-tetralone

CAS: 32940-15-1
Structure of 5-Methoxy-2-tetralone CAS 32940-15-1
Structure:
Appearance: A faint yellow or white crystal
Purity: 98.0%min
Beta-Tetralone: 0.5% max
1,6-Dimethoxynaphthalene: 0.5% max

Watson-Int Link

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