VORICONAZOLE-METHYL-O-GLUCORONIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H22F3N5O8
Molecular Weight	541.434
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VORICONAZOLE-METHYL-O-GLUCORONIDE

Structure Search

SMILES

O[C@H]1[C@H](OCC(C2=C(F)C=NC=N2)[C@](O)(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=RTNOBOYTQNLUHP-RWUUHHLGSA-N

InChI=1S/C22H22F3N5O8/c23-10-1-2-11(13(24)3-10)22(36,6-30-9-27-8-29-30)12(15-14(25)4-26-7-28-15)5-37-21-18(33)16(31)17(32)19(38-21)20(34)35/h1-4,7-9,12,16-19,21,31-33,36H,5-6H2,(H,34,35)/t12-,16-,17-,18+,19-,21+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H22F3N5O8
Molecular Weight	541.434
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:55:54 GMT 2025` Edited by `admin` on `Tue Apr 01 21:55:54 GMT 2025`
Record UNII	4WJ7E5GA65
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VORICONAZOLE-METHYL-O-GLUCORONIDE

Common Name

English

(2S,3S,4S,5R,6R)-6-((2R,3R)-3-(2,4-DIFLUOROPHENYL)-2-(5-FLUOROPYRIMIDIN-4-YL)-3-HYDROXY-4-(1,2,4-TRIAZOL-1-YL)BUTOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Preferred Name

English

Code System Code Type Description

FDA UNII

4WJ7E5GA65

Created by admin on Tue Apr 01 21:55:54 GMT 2025 , Edited by admin on Tue Apr 01 21:55:54 GMT 2025

PRIMARY

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VORICONAZOLE

PARENT -> METABOLITE

Comments:

6% metabolitic product resulting from CYP450 metabolism of voriconazole.