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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(C2)C=CC=C3O

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
139594
Name Type Language
Rotigotine hydrochloride, (±)-
Common Name English
rac-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 Sat Dec 16 20:22:11 GMT 2023 , Edited by admin on Sat Dec 16 20:22:11 GMT 2023
PRIMARY
PUBCHEM
6917969
Created by admin on Sat Dec 16 20:22:11 GMT 2023 , Edited by admin on Sat Dec 16 20:22:11 GMT 2023
PRIMARY
CAS
102120-99-0
Created by admin on Sat Dec 16 20:22:11 GMT 2023 , Edited by admin on Sat Dec 16 20:22:11 GMT 2023
PRIMARY
PARENT (SALT/SOLVATE)
Structure of ROTIGOTINE, (±)-
NIH
NCATS
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