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Details

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

SHOW SMILES / InChI
Structure of ROTIGOTINE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=CEXBONHIOKGWNU-NTISSMGPSA-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/t16-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:55:31 UTC 2023
Edited
by admin
on Fri Dec 15 15:55:31 UTC 2023
Record UNII
6Q1W9573L2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROTIGOTINE HYDROCHLORIDE
MI  
Common Name English
ROTIGOTINE HYDROCHLORIDE [MI]
Common Name English
1-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-6-(PROPYL(2-(2-THIENYL)ETHYL)AMINO)-, HYDROCHLORIDE (1:1), (6S)-
Systematic Name English
(-)-5,6,7,8-TETRAHYDRO-6-(PROPYL(2-(2-THIENYL)ETHYL)AMINO)-1-NAPHTHOL HYDROCHLORIDE
Systematic Name English
ROTIGOTINE HYDROCHLORIDE [USP-RS]
Common Name English
ROTIGOTINE HYDROCHLORIDE, (-)-
Common Name English
Code System Code Type Description
DRUG BANK
DBSALT000155
Created by admin on Fri Dec 15 15:55:31 UTC 2023 , Edited by admin on Fri Dec 15 15:55:31 UTC 2023
PRIMARY
RS_ITEM_NUM
1606079
Created by admin on Fri Dec 15 15:55:31 UTC 2023 , Edited by admin on Fri Dec 15 15:55:31 UTC 2023
PRIMARY
PUBCHEM
59226
Created by admin on Fri Dec 15 15:55:31 UTC 2023 , Edited by admin on Fri Dec 15 15:55:31 UTC 2023
PRIMARY
CAS
125572-93-2
Created by admin on Fri Dec 15 15:55:31 UTC 2023 , Edited by admin on Fri Dec 15 15:55:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID80154792
Created by admin on Fri Dec 15 15:55:31 UTC 2023 , Edited by admin on Fri Dec 15 15:55:31 UTC 2023
PRIMARY
FDA UNII
6Q1W9573L2
Created by admin on Fri Dec 15 15:55:31 UTC 2023 , Edited by admin on Fri Dec 15 15:55:31 UTC 2023
PRIMARY
MERCK INDEX
m9674
Created by admin on Fri Dec 15 15:55:31 UTC 2023 , Edited by admin on Fri Dec 15 15:55:31 UTC 2023
PRIMARY Merck Index