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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H31NOS2
Molecular Weight 425.65
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-N-PROPYL-5-(2-(THIOPHEN-2-YL)ETHOXY)-N-(2-(THIOPHEN-2-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE

SMILES

CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(OCCC4=CC=CS4)C=CC=C3C2

InChI

InChIKey=OQBJMVJOGTWBAJ-NRFANRHFSA-N
InChI=1S/C25H31NOS2/c1-2-14-26(15-12-22-7-4-17-28-22)21-10-11-24-20(19-21)6-3-9-25(24)27-16-13-23-8-5-18-29-23/h3-9,17-18,21H,2,10-16,19H2,1H3/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H31NOS2
Molecular Weight 425.65
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 11:01:39 UTC 2023
Edited
by admin
on Sat Dec 16 11:01:39 UTC 2023
Record UNII
23QRX5CL2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-N-PROPYL-5-(2-(THIOPHEN-2-YL)ETHOXY)-N-(2-(THIOPHEN-2-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE
Systematic Name English
ROTIGOTINE IMPURITY J [EP IMPURITY]
Common Name English
ROTIGOTINE THIENYLETHYL ETHER
Common Name English
Code System Code Type Description
PUBCHEM
155928854
Created by admin on Sat Dec 16 11:01:39 UTC 2023 , Edited by admin on Sat Dec 16 11:01:39 UTC 2023
PRIMARY
FDA UNII
23QRX5CL2N
Created by admin on Sat Dec 16 11:01:39 UTC 2023 , Edited by admin on Sat Dec 16 11:01:39 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP