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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-GLUCURONIDE

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 Thu Jul 06 19:21:42 UTC 2023
Edited
by admin
on Thu Jul 06 19:21:42 UTC 2023
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 Thu Jul 06 19:21:42 UTC 2023 , Edited by admin on Thu Jul 06 19:21:42 UTC 2023
PRIMARY
FDA UNII
SD65DWO2JY
Created by admin on Thu Jul 06 19:21:42 UTC 2023 , Edited by admin on Thu Jul 06 19:21:42 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
16% metabolitic product resulting from CYP450 enzyme metabolism of voriconazole.