VORICONAZOLE-5-FLUORO-PYRIMIDIN-4-YL-OXY-GLUCURONIDE

Details

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

SHOW SMILES / InChI

Structure of VORICONAZOLE-5-FLUORO-PYRIMIDIN-4-YL-OXY-GLUCURONIDE

Structure Search

SMILES

C[C@@H](C1=NC=NC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1F)[C@](O)(CN3C=NC=N3)C4=CC=C(F)C=C4F

InChI

InChIKey=WFVJBHINOFLFCT-XJBLVREDSA-N

InChI=1S/C22H22F3N5O8/c1-9(22(36,5-30-8-26-6-29-30)11-3-2-10(23)4-12(11)24)14-13(25)19(28-7-27-14)38-21-17(33)15(31)16(32)18(37-21)20(34)35/h2-4,6-9,15-18,21,31-33,36H,5H2,1H3,(H,34,35)/t9-,15-,16-,17+,18-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H22F3N5O8
Molecular Weight	541.434
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:11:33 GMT 2025` Edited by `admin` on `Tue Apr 01 21:11:33 GMT 2025`
Record UNII	Q25C5KH43M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VORICONAZOLE-5-FLUORO-PYRIMIDIN-4-YL-OXY-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-6-(6-((1S,2R)-2-(2,4-DIFLUOROPHENYL)-2-HYDROXY-1-METHYL-3-(1,2,4-TRIAZOL-1-YL)PROPYL)-5-FLUORO-PYRIMIDIN-4-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Preferred Name

English

Code System Code Type Description

FDA UNII

Q25C5KH43M

Created by admin on Tue Apr 01 21:11:33 GMT 2025 , Edited by admin on Tue Apr 01 21:11:33 GMT 2025

PRIMARY

PUBCHEM

155929091

Created by admin on Tue Apr 01 21:11:33 GMT 2025 , Edited by admin on Tue Apr 01 21:11:33 GMT 2025

PRIMARY

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VORICONAZOLE

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Comments:

16% metabolitic product resulting from CYP450 metabolism of voriconazole.