U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C19H25NOS.ClH
Molecular Weight 351.934
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Rotigotine hydrochloride, (±)-

SMILES

Cl.CCCN(CCC1=CC=CS1)C2CCC3=C(O)C=CC=C3C2

InChI

InChIKey=CEXBONHIOKGWNU-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
rac-Rotigotine Hydrochloride
Preferred Name English
Rotigotine hydrochloride, (±)-
Common Name English
1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-, hydrochloride (1:1)
Systematic Name English
1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-, hydrochloride
Systematic Name English
6-((2-(1H-1lambda3-thiophen-2-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride
Systematic Name English
(RS)-6-{Propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
2B3CRG6EJ2
Created by admin on Wed Apr 02 20:12:46 GMT 2025 , Edited by admin on Wed Apr 02 20:12:46 GMT 2025
PRIMARY
PUBCHEM
6917969
Created by admin on Wed Apr 02 20:12:46 GMT 2025 , Edited by admin on Wed Apr 02 20:12:46 GMT 2025
PRIMARY
CAS
102120-99-0
Created by admin on Wed Apr 02 20:12:46 GMT 2025 , Edited by admin on Wed Apr 02 20:12:46 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of ROTIGOTINE, (±)-
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966