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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H14F3N5O2
Molecular Weight 365.3105
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VORICONAZOLE N-OXIDE

SMILES

C[C@@]([H])(c1c(cn(=O)cn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O

InChI

InChIKey=KPLFPLUCFPRUHU-MGPLVRAMSA-N
InChI=1S/C16H14F3N5O2/c1-10(15-14(19)5-24(26)9-21-15)16(25,6-23-8-20-7-22-23)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H14F3N5O2
Molecular Weight 365.3105
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:30:59 UTC 2021
Edited
by admin
on Sat Jun 26 09:30:59 UTC 2021
Record UNII
684933R4SK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VORICONAZOLE N-OXIDE
Common Name English
4-PYRIMIDINEETHANOL, .ALPHA.-(2,4-DIFLUOROPHENYL)-5-FLUORO-.BETA.-METHYL-.ALPHA.-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, 1-OXIDE, (.ALPHA.R,.BETA.S)-
Systematic Name English
UK-121265
Code English
UK 121265
Code English
Code System Code Type Description
CAS
618109-05-0
Created by admin on Sat Jun 26 09:30:59 UTC 2021 , Edited by admin on Sat Jun 26 09:30:59 UTC 2021
PRIMARY
FDA UNII
684933R4SK
Created by admin on Sat Jun 26 09:30:59 UTC 2021 , Edited by admin on Sat Jun 26 09:30:59 UTC 2021
PRIMARY
PUBCHEM
10044355
Created by admin on Sat Jun 26 09:30:59 UTC 2021 , Edited by admin on Sat Jun 26 09:30:59 UTC 2021
PRIMARY
EPA CompTox
618109-05-0
Created by admin on Sat Jun 26 09:30:59 UTC 2021 , Edited by admin on Sat Jun 26 09:30:59 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE