FLUCONAZOLE GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H20F2N6O7
Molecular Weight	482.3949
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](OC(CN2C=NC=N2)(CN3C=NC=N3)C4=C(F)C=C(F)C=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=GJQIGLSHRFZUJD-RPUYLAQPSA-N

InChI=1S/C19H20F2N6O7/c20-10-1-2-11(12(21)3-10)19(4-26-8-22-6-24-26,5-27-9-23-7-25-27)34-18-15(30)13(28)14(29)16(33-18)17(31)32/h1-3,6-9,13-16,18,28-30H,4-5H2,(H,31,32)/t13-,14-,15+,16-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H20F2N6O7
Molecular Weight	482.3949
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 10:52:03 GMT 2023` Edited by `admin` on `Sat Dec 16 10:52:03 GMT 2023`
Record UNII	2KH0107L73
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLUCONAZOLE GLUCURONIDE

Common Name

English

FLUCONAZOLE .BETA.-D-GLUCURONIDE

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 1-(2,4-DIFLUOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)-1-(1H-1,2,4-TRIAZOL-1-YLMETHYL)ETHYL

Systematic Name

English

Code System Code Type Description

FDA UNII

2KH0107L73

Created by admin on Sat Dec 16 10:52:03 GMT 2023 , Edited by admin on Sat Dec 16 10:52:03 GMT 2023

PRIMARY

CAS

136134-23-1

Created by admin on Sat Dec 16 10:52:03 GMT 2023 , Edited by admin on Sat Dec 16 10:52:03 GMT 2023

PRIMARY

PUBCHEM

71316779

Created by admin on Sat Dec 16 10:52:03 GMT 2023 , Edited by admin on Sat Dec 16 10:52:03 GMT 2023

PRIMARY

EPA CompTox

DTXSID50747791

Created by admin on Sat Dec 16 10:52:03 GMT 2023 , Edited by admin on Sat Dec 16 10:52:03 GMT 2023

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Related Record Type Details


					8VZV102JFY

FLUCONAZOLE

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

URINE