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

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:andgt;10 mg/​mL

Safe­ty Data

Sym­bol

GHS07

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

Avail­able Intermediates

Impu­ri­ty 1 : Rotigotine

CAS : 92206-54-7 Struc­ture :  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 :  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 :  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 :  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 : 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

http://​wat​son​-int​.com/​R​o​t​i​g​o​t​i​n​e​-​H​C​L​_​C​A​S​_​9​9​7​5​5​-​5​9​-​6​_​1​2​5​5​7​2​-​9​3​-​2​.​h​tml