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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H14F3N5O
Molecular Weight 349.3105
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENT-VORICONAZOLE

SMILES

C[C@H](C1=NC=NC=C1F)[C@@](O)(CN2C=NC=N2)C3=CC=C(F)C=C3F

InChI

InChIKey=BCEHBSKCWLPMDN-HWPZZCPQSA-N
InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H14F3N5O
Molecular Weight 349.3105
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

The (2S,3R) enantiomer in Voriconazole (V760000) drug substance

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Thu Jul 06 14:45:31 UTC 2023
Edited
by admin
on Thu Jul 06 14:45:31 UTC 2023
Record UNII
1Y58LNV43M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENT-VORICONAZOLE
Common Name English
VORICONAZOLE IMPURITY D [EP IMPURITY]
Common Name English
VORICONAZOLE ENANTIOMER
Common Name English
VORICONAZOLE RELATED COMPOUND B [USP IMPURITY]
Common Name English
4-PYRIMIDINEETHANOL, .ALPHA.-(2,4-DIFLUOROPHENYL)-5-FLUORO-.BETA.-METHYL-.ALPHA.-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, (.ALPHA.S,.BETA.R)-
Systematic Name English
VORICONAZOLE RELATED COMPOUND B [USP-RS]
Common Name English
(2S,3R)-2-(2,4-DIFLUOROPHENYL)-3-(5-FLUOROPYRIMIDIN-4-YL)-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL
Systematic Name English
VORICONAZOLE RELATED COMPOUND B
USP-RS  
Common Name English
Code System Code Type Description
PUBCHEM
15230631
Created by admin on Thu Jul 06 14:45:32 UTC 2023 , Edited by admin on Thu Jul 06 14:45:32 UTC 2023
PRIMARY
FDA UNII
1Y58LNV43M
Created by admin on Thu Jul 06 14:45:32 UTC 2023 , Edited by admin on Thu Jul 06 14:45:32 UTC 2023
PRIMARY
CAS
137234-63-0
Created by admin on Thu Jul 06 14:45:32 UTC 2023 , Edited by admin on Thu Jul 06 14:45:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID60160114
Created by admin on Thu Jul 06 14:45:32 UTC 2023 , Edited by admin on Thu Jul 06 14:45:32 UTC 2023
PRIMARY
RS_ITEM_NUM
1718020
Created by admin on Thu Jul 06 14:45:32 UTC 2023 , Edited by admin on Thu Jul 06 14:45:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP