N-DESPROPYL ROTIGOTINE GLUCURONIDE

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

Structure Search

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

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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


					87T4T8BO2E

ROTIGOTINE

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE

Amount: