RO-61-0593 GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H32O11
Molecular Weight	448.4615
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCC[C@@H]([C@@H](C[C@@H]1CCC(=O)O1)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=O

InChI

InChIKey=BFPPURMTFRQYEH-ZQPHKLCWSA-N

InChI=1S/C20H32O11/c1-2-3-4-5-6-11(18(25)26)12(9-10-7-8-13(21)29-10)30-20-16(24)14(22)15(23)17(31-20)19(27)28/h10-12,14-17,20,22-24H,2-9H2,1H3,(H,25,26)(H,27,28)/t10-,11-,12+,14-,15-,16+,17-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H32O11
Molecular Weight	448.4615
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:43:33 GMT 2025` Edited by `admin` on `Mon Mar 31 22:43:33 GMT 2025`
Record UNII	R7MY3BQ2K8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RO-61-0593 GLUCURONIDE

Common Name

English

ORLISTAT (M13-GA)

Preferred Name

English

(2S,3S,4S,5R,6R)-6-(((2R,3S)-3-CARBOXY-1-((S)-5-OXOTETRAHYDROFURAN-2-YL)NONAN-2-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

156613942

Created by admin on Mon Mar 31 22:43:33 GMT 2025 , Edited by admin on Mon Mar 31 22:43:33 GMT 2025

PRIMARY

FDA UNII

R7MY3BQ2K8

Created by admin on Mon Mar 31 22:43:33 GMT 2025 , Edited by admin on Mon Mar 31 22:43:33 GMT 2025

PRIMARY

Related Record Type Details


					95M8R751W8

ORLISTAT

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

URINE

Amount: