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Details

Stereochemistry EPIMERIC
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-METHYL-O-GLUCORONIDE

SMILES

[H]C(CO[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)(C2=C(F)C=NC=N2)[C@](O)(CN3C=NC=N3)C4=C(F)C=C(F)C=C4

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 Thu Jul 06 19:36:07 UTC 2023
Edited
by admin
on Thu Jul 06 19:36:07 UTC 2023
Record UNII
4WJ7E5GA65
Record Status Validated (UNII)
Record Version
  • Download
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
Systematic Name English
Code System Code Type Description
FDA UNII
4WJ7E5GA65
Created by admin on Thu Jul 06 19:36:07 UTC 2023 , Edited by admin on Thu Jul 06 19:36:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
6% metabolitic product resulting from CYP450 metabolism of voriconazole.