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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23NOS
Molecular Weight 301.446
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6S)-6-(ETHYL(2-(2-THIENYL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENOL

SMILES

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

InChI

InChIKey=MGQHYAUEAZJTOP-HNNXBMFYSA-N
InChI=1S/C18H23NOS/c1-2-19(11-10-16-6-4-12-21-16)15-8-9-17-14(13-15)5-3-7-18(17)20/h3-7,12,15,20H,2,8-11,13H2,1H3/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H23NOS
Molecular Weight 301.446
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 Sat Dec 16 11:01:37 GMT 2023
Edited
by admin
on Sat Dec 16 11:01:37 GMT 2023
Record UNII
BX28WNZ8X5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6S)-6-(ETHYL(2-(2-THIENYL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENOL
Systematic Name English
ETHYL ROTIGOTINE
Common Name English
1-NAPHTHALENOL, 6-(ETHYL(2-(2-THIENYL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRO-, (6S)-
Systematic Name English
(6S)-6-(ETHYL(2-(THIOPHEN-2-YL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL
Systematic Name English
ROTIGOTINE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
1369625-04-6
Created by admin on Sat Dec 16 11:01:37 GMT 2023 , Edited by admin on Sat Dec 16 11:01:37 GMT 2023
PRIMARY
PUBCHEM
71152434
Created by admin on Sat Dec 16 11:01:37 GMT 2023 , Edited by admin on Sat Dec 16 11:01:37 GMT 2023
PRIMARY
FDA UNII
BX28WNZ8X5
Created by admin on Sat Dec 16 11:01:37 GMT 2023 , Edited by admin on Sat Dec 16 11:01:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP