VORICONAZOLE-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 Search

SMILES

[H][C@@]4(OC1=NC=C(F)C(=N1)[C@H](C)[C@](O)(CN2C=NC=N2)C3=C(F)C=C(F)C=C3)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=OAKAAMOPXIPCTI-AOEGFLEZSA-N

InChI=1S/C22H22F3N5O8/c1-9(22(36,6-30-8-26-7-28-30)11-3-2-10(23)4-12(11)24)14-13(25)5-27-21(29-14)38-20-17(33)15(31)16(32)18(37-20)19(34)35/h2-5,7-9,15-18,20,31-33,36H,6H2,1H3,(H,34,35)/t9-,15-,16-,17+,18-,20-,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 `Sat Dec 16 13:42:40 UTC 2023` Edited by `admin` on `Sat Dec 16 13:42:40 UTC 2023`
Record UNII	SD65DWO2JY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VORICONAZOLE-GLUCURONIDE

Common Name

English

VORICONAZOLE-5-FLUORO-PYRIMIDIN-2-YL-OXY-GLUCURONIDE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

131842278

Created by admin on Sat Dec 16 13:42:40 UTC 2023 , Edited by admin on Sat Dec 16 13:42:40 UTC 2023

PRIMARY

FDA UNII

SD65DWO2JY

Created by admin on Sat Dec 16 13:42:40 UTC 2023 , Edited by admin on Sat Dec 16 13:42:40 UTC 2023

PRIMARY

Related Record Type Details


					JFU09I87TR

VORICONAZOLE

PARENT -> METABOLITE

Comments:

16% metabolitic product resulting from CYP450 enzyme metabolism of voriconazole.