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

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(C2)C=CC=C3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

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

Approval Year

Name Type Language
ROTIGOTINE GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (6S)-5,6,7,8-TETRAHYDRO-6-(PROPYL(2-(2-THIENYL)ETHYL)AMINO)-1-NAPHTHALENYL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20858383
Created by admin on Sat Dec 16 08:44:07 GMT 2023 , Edited by admin on Sat Dec 16 08:44:07 GMT 2023
PRIMARY
FDA UNII
C2T6Z2W3JW
Created by admin on Sat Dec 16 08:44:07 GMT 2023 , Edited by admin on Sat Dec 16 08:44:07 GMT 2023
PRIMARY
CAS
128464-29-9
Created by admin on Sat Dec 16 08:44:07 GMT 2023 , Edited by admin on Sat Dec 16 08:44:07 GMT 2023
PRIMARY
PUBCHEM
71752119
Created by admin on Sat Dec 16 08:44:07 GMT 2023 , Edited by admin on Sat Dec 16 08:44:07 GMT 2023
PRIMARY