N-ACETYLSEROTONIN GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22N2O8
Molecular Weight	394.3759
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-ACETYLSEROTONIN GLUCURONIDE

Structure Search

SMILES

CC(=O)NCCC1=CNC2=C1C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2

InChI

InChIKey=DRKQFNYKSNWOTC-RNGZQALNSA-N

InChI=1S/C18H22N2O8/c1-8(21)19-5-4-9-7-20-12-3-2-10(6-11(9)12)27-18-15(24)13(22)14(23)16(28-18)17(25)26/h2-3,6-7,13-16,18,20,22-24H,4-5H2,1H3,(H,19,21)(H,25,26)/t13-,14-,15+,16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H22N2O8
Molecular Weight	394.3759
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:31:05 GMT 2025` Edited by `admin` on `Wed Apr 02 08:31:05 GMT 2025`
Record UNII	WUG64S3DC0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-ACETYLSEROTONIN GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-(2-(ACETYLAMINO)ETHYL)-1H-INDOL-5-YL

Preferred Name

English

3-(2-(ACETYLAMINO)ETHYL)-1H-INDOL-5-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

29971054

Created by admin on Wed Apr 02 08:31:05 GMT 2025 , Edited by admin on Wed Apr 02 08:31:05 GMT 2025

PRIMARY

FDA UNII

WUG64S3DC0

Created by admin on Wed Apr 02 08:31:05 GMT 2025 , Edited by admin on Wed Apr 02 08:31:05 GMT 2025

PRIMARY

CAS

18430-06-3

Created by admin on Wed Apr 02 08:31:05 GMT 2025 , Edited by admin on Wed Apr 02 08:31:05 GMT 2025

PRIMARY

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