Irosustat glucuronate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22O9
Molecular Weight	406.3833
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](OC2=CC=C3C(OC(=O)C4=C3CCCCC4)=C2)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=WZHPSKYEXFRYHI-SAGLZJIZSA-N

InChI=1S/C20H22O9/c21-14-15(22)17(18(24)25)29-20(16(14)23)27-9-6-7-11-10-4-2-1-3-5-12(10)19(26)28-13(11)8-9/h6-8,14-17,20-23H,1-5H2,(H,24,25)/t14-,15-,16+,17-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H22O9
Molecular Weight	406.3833
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 05:45:01 GMT 2025` Edited by `admin` on `Wed Apr 02 05:45:01 GMT 2025`
Record UNII	5GR7ZNR2YW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IROSUSTAT METABOLITE M12

Preferred Name

English

Irosustat glucuronate

Common Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA(C)CHROMEN-3-YL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

166451390

Created by admin on Wed Apr 02 05:45:01 GMT 2025 , Edited by admin on Wed Apr 02 05:45:01 GMT 2025

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FDA UNII

5GR7ZNR2YW

Created by admin on Wed Apr 02 05:45:01 GMT 2025 , Edited by admin on Wed Apr 02 05:45:01 GMT 2025

PRIMARY

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