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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27NO7S
Molecular Weight 449.517
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESPROPYL ROTIGOTINE GLUCURONIDE

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C3CC[C@@H](CC3=CC=C2)NCCC4=CC=CS4)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=VDORCSAVXVYPRS-ZQUMRXHJSA-N
InChI=1S/C22H27NO7S/c24-17-18(25)20(21(27)28)30-22(19(17)26)29-16-5-1-3-12-11-13(6-7-15(12)16)23-9-8-14-4-2-10-31-14/h1-5,10,13,17-20,22-26H,6-9,11H2,(H,27,28)/t13-,17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H27NO7S
Molecular Weight 449.517
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 22:16:55 GMT 2025
Edited
by admin
on Mon Mar 31 22:16:55 GMT 2025
Record UNII
Y8W64KJ2P6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (6S)-5,6,7,8-TETRAHYDRO-6-((2-(2-THIENYL)ETHYL)AMINO)-1-NAPHTHALENYL
Preferred Name English
N-DESPROPYL ROTIGOTINE GLUCURONIDE
Common Name English
Code System Code Type Description
PUBCHEM
155928961
Created by admin on Mon Mar 31 22:16:55 GMT 2025 , Edited by admin on Mon Mar 31 22:16:55 GMT 2025
PRIMARY
CAS
154714-33-7
Created by admin on Mon Mar 31 22:16:55 GMT 2025 , Edited by admin on Mon Mar 31 22:16:55 GMT 2025
PRIMARY
FDA UNII
Y8W64KJ2P6
Created by admin on Mon Mar 31 22:16:55 GMT 2025 , Edited by admin on Mon Mar 31 22:16:55 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
URINE