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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H25NOS
Molecular Weight 315.473
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROTIGOTINE

SMILES

CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3O

InChI

InChIKey=KFQYTPMOWPVWEJ-INIZCTEOSA-N
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/t16-/m0/s1

HIDE SMILES / InChI
Molecular Formula C19H25NOS
Molecular Weight 315.473
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:43:47 UTC 2023
Edited
by admin
on Fri Dec 15 15:43:47 UTC 2023
Record UNII
87T4T8BO2E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROTIGOTINE
EMA EPAR   INN   JAN   MART.   MI   ORANGE BOOK   USAN   VANDF   WHO-DD  
USAN   INN  
Official Name English
ROTIGOTINE [USP MONOGRAPH]
Common Name English
ROTIGOTINE [EP MONOGRAPH]
Common Name English
NEUPRO
Brand Name English
ROTIGOTINE [MI]
Common Name English
rotigotine [INN]
Common Name English
ROTIGOTINE [VANDF]
Common Name English
ROTIGOTINE [EMA EPAR]
Common Name English
SPM 962
Code English
(6S)-6-(PROPYL(2-(2-THIENYL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENOL
Systematic Name English
SPM-962
Code English
ROTIGOTINE [ORANGE BOOK]
Common Name English
(-)-(S)-5,6,7,8-TETRAHYDRO-6-(PROPYL(2-(2-THIENYL)ETHYL)AMINO)-1-NAPHTHOL
Systematic Name English
ROTIGOTINE [JAN]
Common Name English
ROTIGOTINE [USAN]
Common Name English
1-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-6-(PROPYL(2-(2-THIENYL)ETHYL)AMINO-(6S)-
Common Name English
ROTIGOTINE [MART.]
Common Name English
Rotigotine [WHO-DD]
Common Name English
LEGANTO
Brand Name English
ROTIGOTINE [USP-RS]
Common Name English
Classification Tree Code System Code
EMA ASSESSMENT REPORTS NEUPRO (AUTHORIZED: PARKINSON DISEASE)
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
WHO-ATC N04BC09
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
EMA ASSESSMENT REPORTS NEUPRO (AUTHORIZED: RESTLESS LEGS SYNDROME)
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
EMA ASSESSMENT REPORTS LEGANTO (AUTHORIZED: RESTLESS LEGS SYNDROME)
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
WHO-VATC QN04BC09
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
NCI_THESAURUS C66884
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
EMA ASSESSMENT REPORTS LEGANTO (AUTHORIZED: PARKINSON DISEASE)
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
Code System Code Type Description
USAN
QQ-05
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
IUPHAR
941
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
SMS_ID
100000089581
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
INN
7897
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
PUBCHEM
59227
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
DAILYMED
87T4T8BO2E
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
DRUG BANK
DB05271
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
FDA UNII
87T4T8BO2E
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
RXCUI
616739
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY RxNorm
WIKIPEDIA
ROTIGOTINE
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
EVMPD
SUB21254
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
HSDB
8254
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
LACTMED
Rotigotine
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
RS_ITEM_NUM
1606060
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
NCI_THESAURUS
C77566
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
CAS
99755-59-6
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
ChEMBL
CHEMBL1303
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
MERCK INDEX
m9674
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY Merck Index
DRUG CENTRAL
2407
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID5046772
Created by admin on Fri Dec 15 15:43:47 UTC 2023 , Edited by admin on Fri Dec 15 15:43:47 UTC 2023
PRIMARY
Related Record Type Details
Structure of ROTIGOTINE
EXCRETED UNCHANGED
URINE
D(4) DOPAMINE RECEPTOR
TARGET -> AGONIST
ALPHA-2A ADRENERGIC RECEPTOR
TARGET -> AGONIST
SHORT-ACTING
D(2) DOPAMINE RECEPTOR
TARGET -> AGONIST
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
D(3) DOPAMINE RECEPTOR
TARGET -> AGONIST
Related Record Type Details
Structure of DESTHIENYLETHYL ROTIGOTINE SULFATE
METABOLITE -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of N-DESPROPYL ROTIGOTINE GLUCURONIDE
METABOLITE -> PARENT
MINOR
URINE
Structure of ROTIGOTINE GLUCURONIDE
METABOLITE -> PARENT
two UDP-glucuronosyltransferases catalyze the metabolism of rotigotine
Structure of N-DESPROPYL ROTIGOTINE SULFATE
METABOLITE -> PARENT
MAJOR
PLASMA; URINE
Structure of ROTIGOTINE SULFATE
METABOLITE -> PARENT
MAJOR
PLASMA; URINE
Structure of ROTIGOTINE SULFATE
METABOLITE -> PARENT
sulfotransferases
Structure of ROTIGOTINE GLUCURONIDE
METABOLITE -> PARENT
MAJOR
PLASMA; URINE
Related Record Type Details
Structure of (6S)-6-(PROPYL(2-(THIOPHEN-2-YL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL ACETATE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of (6S)-6-(ETHYL(2-(2-THIENYL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of DESTHIENYLETHYL ROTIGOTINE
IMPURITY -> PARENT
below LOQ (300 dpm/ml)
MINOR
URINE
Structure of (2S)-N-PROPYL-5-(2-(THIOPHEN-2-YL)ETHOXY)-N-(2-(THIOPHEN-2-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of DESTHIENYLETHYL ROTIGOTINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 7,8-DIHYDRONAPHTHALEN-1-OL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of (6S)-6-(N,N-BIS(2-(THIOPHEN-2-YL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of DESPROPYL ROTIGOTINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of (6S)-6-(PROPYL(2-(THIOPHEN-2-YL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL 4-METHYLBENZENESULFONATE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of (S)-5-METHOXY-N-PROPYL-N-(2-(THIOPHEN-2-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of (2S)-5-HYDROXY-N-PROPYL-N-(2-(THIOPHEN-2-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE N-OXIDE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ROTIGOTINE, (+)-
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 5-METHOXY-2-TETRALONE
IMPURITY -> PARENT
Related Record Type Details
Structure of ROTIGOTINE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Tmax PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
NIH
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