Ciclopirox-β-D-Glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H25NO8
Molecular Weight	383.393
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(=O)N(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(=C1)C3CCCCC3

InChI

InChIKey=RRBPTSPRUYTJLL-RPUYLAQPSA-N

InChI=1S/C18H25NO8/c1-9-7-11(10-5-3-2-4-6-10)19(12(20)8-9)27-18-15(23)13(21)14(22)16(26-18)17(24)25/h7-8,10,13-16,18,21-23H,2-6H2,1H3,(H,24,25)/t13-,14-,15+,16-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H25NO8
Molecular Weight	383.393
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 19:52:35 UTC 2023` Edited by `admin` on `Sat Dec 16 19:52:35 UTC 2023`
Record UNII	RG7D3JQ86H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ciclopirox-β-D-Glucuronide

Common Name

English

(3R,6R)-6-((6-cyclohexyl-4-methyl-2-oxopyridin-1(2H)-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Systematic Name

English

Ciclopirox beta-D-Glucuronide

Common Name

English

β-D-Glucopyranuronic acid, 1-[(6-cyclohexyl-4-methyl-2-oxo-1(2H)-pyridinyl)oxy]-1-deoxy-

Systematic Name

English

Code System Code Type Description

CAS

79419-54-8

Created by admin on Sat Dec 16 19:52:35 UTC 2023 , Edited by admin on Sat Dec 16 19:52:35 UTC 2023

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FDA UNII

RG7D3JQ86H

Created by admin on Sat Dec 16 19:52:35 UTC 2023 , Edited by admin on Sat Dec 16 19:52:35 UTC 2023

PRIMARY

PUBCHEM

92043549

Created by admin on Sat Dec 16 19:52:35 UTC 2023 , Edited by admin on Sat Dec 16 19:52:35 UTC 2023

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