ROTIGOTINE GLUCURONIDE

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 Search

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

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 `Sat Dec 16 08:44:07 UTC 2023` Edited by `admin` on `Sat Dec 16 08:44:07 UTC 2023`
Record UNII	C2T6Z2W3JW
Record Status	`Validated (UNII)`
Record Version

Download

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 UTC 2023 , Edited by admin on Sat Dec 16 08:44:07 UTC 2023

PRIMARY

FDA UNII

C2T6Z2W3JW

Created by admin on Sat Dec 16 08:44:07 UTC 2023 , Edited by admin on Sat Dec 16 08:44:07 UTC 2023

PRIMARY

CAS

128464-29-9

Created by admin on Sat Dec 16 08:44:07 UTC 2023 , Edited by admin on Sat Dec 16 08:44:07 UTC 2023

PRIMARY

PUBCHEM

71752119

Created by admin on Sat Dec 16 08:44:07 UTC 2023 , Edited by admin on Sat Dec 16 08:44:07 UTC 2023

PRIMARY

Related Record Type Details


					87T4T8BO2E

ROTIGOTINE

PARENT -> METABOLITE