ZILEUTON N-GLUCURONIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C17H20N2O8S
Molecular Weight	412.414
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(N(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(N)=O)C2=CC3=C(S2)C=CC=C3

InChI

InChIKey=CYYKQHWQVGZJRJ-UPZRFPAJSA-N

InChI=1S/C17H20N2O8S/c1-7(10-6-8-4-2-3-5-9(8)28-10)19(17(18)25)27-16-13(22)11(20)12(21)14(26-16)15(23)24/h2-7,11-14,16,20-22H,1H3,(H2,18,25)(H,23,24)/t7?,11-,12-,13+,14-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H20N2O8S
Molecular Weight	412.414
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:40:58 UTC 2023` Edited by `admin` on `Sat Dec 16 15:40:58 UTC 2023`
Record UNII	LDE6PT2VKH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZILEUTON N-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-O-((AMINOCARBONYL)(1-BENZO(B)THIEN-2-YLETHYL)AMINO)-

Systematic Name

English

Code System Code Type Description

CAS

141056-63-5

Created by admin on Sat Dec 16 15:40:58 UTC 2023 , Edited by admin on Sat Dec 16 15:40:58 UTC 2023

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EPA CompTox

DTXSID70858570

Created by admin on Sat Dec 16 15:40:58 UTC 2023 , Edited by admin on Sat Dec 16 15:40:58 UTC 2023

PRIMARY

PUBCHEM

71752997

Created by admin on Sat Dec 16 15:40:58 UTC 2023 , Edited by admin on Sat Dec 16 15:40:58 UTC 2023

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FDA UNII

LDE6PT2VKH

Created by admin on Sat Dec 16 15:40:58 UTC 2023 , Edited by admin on Sat Dec 16 15:40:58 UTC 2023

PRIMARY

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