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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31NO3S2
Molecular Weight 469.659
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6S)-6-(PROPYL(2-(THIOPHEN-2-YL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL 4-METHYLBENZENESULFONATE

SMILES

CCCN(CCC1=CC=CS1)[C@@H]2CCC3=C(OS(=O)(=O)C4=CC=C(C)C=C4)C=CC=C3C2

InChI

InChIKey=FMHJHLKSDMJSBY-JOCHJYFZSA-N
InChI=1S/C26H31NO3S2/c1-3-16-27(17-15-23-7-5-18-31-23)22-11-14-25-21(19-22)6-4-8-26(25)30-32(28,29)24-12-9-20(2)10-13-24/h4-10,12-13,18,22H,3,11,14-17,19H2,1-2H3/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H31NO3S2
Molecular Weight 469.659
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 11:01:38 UTC 2023
Edited
by admin
on Sat Dec 16 11:01:38 UTC 2023
Record UNII
HVH6S4SUP6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6S)-6-(PROPYL(2-(THIOPHEN-2-YL)ETHYL)AMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL 4-METHYLBENZENESULFONATE
Systematic Name English
ROTIGOTINE TOLUENE SULFONIC ACID ESTER
Common Name English
ROTIGOTINE IMPURITY I [EP IMPURITY]
Common Name English
1-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-6-(PROPYL(2-(2-THIENYL)ETHYL)AMINO)-, 1-(4-METHYLBENZENESULFONATE), (6S)-
Systematic Name English
Code System Code Type Description
CAS
1966941-11-6
Created by admin on Sat Dec 16 11:01:38 UTC 2023 , Edited by admin on Sat Dec 16 11:01:38 UTC 2023
PRIMARY
PUBCHEM
155928998
Created by admin on Sat Dec 16 11:01:38 UTC 2023 , Edited by admin on Sat Dec 16 11:01:38 UTC 2023
PRIMARY
FDA UNII
HVH6S4SUP6
Created by admin on Sat Dec 16 11:01:38 UTC 2023 , Edited by admin on Sat Dec 16 11:01:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP