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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22F3N5O8
Molecular Weight 541.4349
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VORICONAZOLE-GLUCURONIDE

SMILES

C[C@@]([H])(c1c(cnc(n1)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O)F)[C@](Cn3cncn3)(c4ccc(cc4F)F)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 541.4349
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 Jun 26 06:56:10 UTC 2021
Edited
by admin
on Sat Jun 26 06:56:10 UTC 2021
Record UNII
SD65DWO2JY
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 06:56:10 UTC 2021 , Edited by admin on Sat Jun 26 06:56:10 UTC 2021
PRIMARY
FDA UNII
SD65DWO2JY
Created by admin on Sat Jun 26 06:56:10 UTC 2021 , Edited by admin on Sat Jun 26 06:56:10 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
16% metabolitic product resulting from CYP450 enzyme metabolism of voriconazole.