Oxybate‐glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H16O9
Molecular Weight	280.2286
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OCCCC(O)=O)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=XHBNGIHZUGLAMW-XWIWCORWSA-N

InChI=1S/C10H16O9/c11-4(12)2-1-3-18-10-7(15)5(13)6(14)8(19-10)9(16)17/h5-8,10,13-15H,1-3H2,(H,11,12)(H,16,17)/t5-,6-,7+,8-,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H16O9
Molecular Weight	280.2286
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 `Sat Dec 16 19:58:07 GMT 2023` Edited by `admin` on `Sat Dec 16 19:58:07 GMT 2023`
Record UNII	LJN9658VV9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Oxybate‐glucuronide

Common Name

English

β-D-Glucopyranosiduronic acid, 3-carboxypropyl

Systematic Name

English

γ-Hydroxybutyric acid glucuronide

Common Name

English

GHB‐glucuronide

Common Name

English

3-Carboxypropyl β-D-glucopyranosiduronic acid

Common Name

English

Code System Code Type Description

FDA UNII

LJN9658VV9

Created by admin on Sat Dec 16 19:58:07 GMT 2023 , Edited by admin on Sat Dec 16 19:58:07 GMT 2023

PRIMARY

PUBCHEM

132498215

Created by admin on Sat Dec 16 19:58:07 GMT 2023 , Edited by admin on Sat Dec 16 19:58:07 GMT 2023

PRIMARY

CAS

1439527-93-1

Created by admin on Sat Dec 16 19:58:07 GMT 2023 , Edited by admin on Sat Dec 16 19:58:07 GMT 2023

PRIMARY

Related Record Type Details


					30IW36W5B2

OXYBATE

PARENT -> METABOLITE INACTIVE

Comments:

Too variable to be used as a marker for GHB ingestion.

Qualification:

URINE

Amount: