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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H33NO7S
Molecular Weight 491.597
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROTIGOTINE GLUCURONIDE

SMILES

CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=CC=C3C2

InChI

InChIKey=KIZPMKLPMDPLQT-JUHHHSNRSA-N
InChI=1S/C25H33NO7S/c1-2-11-26(12-10-17-6-4-13-34-17)16-8-9-18-15(14-16)5-3-7-19(18)32-25-22(29)20(27)21(28)23(33-25)24(30)31/h3-7,13,16,20-23,25,27-29H,2,8-12,14H2,1H3,(H,30,31)/t16-,20-,21-,22+,23-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H33NO7S
Molecular Weight 491.597
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:16:54 GMT 2025
Edited
by admin
on Mon Mar 31 22:16:54 GMT 2025
Record UNII
C2T6Z2W3JW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (6S)-5,6,7,8-TETRAHYDRO-6-(PROPYL(2-(2-THIENYL)ETHYL)AMINO)-1-NAPHTHALENYL
Preferred Name English
ROTIGOTINE GLUCURONIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20858383
Created by admin on Mon Mar 31 22:16:54 GMT 2025 , Edited by admin on Mon Mar 31 22:16:54 GMT 2025
PRIMARY
FDA UNII
C2T6Z2W3JW
Created by admin on Mon Mar 31 22:16:54 GMT 2025 , Edited by admin on Mon Mar 31 22:16:54 GMT 2025
PRIMARY
CAS
128464-29-9
Created by admin on Mon Mar 31 22:16:54 GMT 2025 , Edited by admin on Mon Mar 31 22:16:54 GMT 2025
PRIMARY
PUBCHEM
71752119
Created by admin on Mon Mar 31 22:16:54 GMT 2025 , Edited by admin on Mon Mar 31 22:16:54 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE