STIRIPENTOL GLUCURONIDE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C20H26O9
Molecular Weight	410.415
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)\C=C\C2=CC3=C(OCO3)C=C2

InChI

InChIKey=CUETXBZMNNKCCI-KJIBAUPNSA-N

InChI=1S/C20H26O9/c1-20(2,3)13(7-5-10-4-6-11-12(8-10)27-9-26-11)28-19-16(23)14(21)15(22)17(29-19)18(24)25/h4-8,13-17,19,21-23H,9H2,1-3H3,(H,24,25)/b7-5+/t13?,14-,15-,16+,17-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H26O9
Molecular Weight	410.415
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:32:38 UTC 2023` Edited by `admin` on `Sat Dec 16 08:32:38 UTC 2023`
Record UNII	NHD2GPH93H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

STIRIPENTOL GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-(1,3-BENZODIOXOL-5-YL)-1-(1,1-DIMETHYLETHYL)-2-PROPENYL

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-(1,3-BENZODIOXOL-5-YL)-1-(1,1-DIMETHYLETHYL)-2-PROPEN-1-YL

Common Name

English

Code System Code Type Description

CAS

88902-06-1

Created by admin on Sat Dec 16 08:32:38 UTC 2023 , Edited by admin on Sat Dec 16 08:32:38 UTC 2023

PRIMARY

PUBCHEM

139025266

Created by admin on Sat Dec 16 08:32:38 UTC 2023 , Edited by admin on Sat Dec 16 08:32:38 UTC 2023

PRIMARY

FDA UNII

NHD2GPH93H

Created by admin on Sat Dec 16 08:32:38 UTC 2023 , Edited by admin on Sat Dec 16 08:32:38 UTC 2023

PRIMARY

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STIRIPENTOL

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