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Details

Stereochemistry RACEMIC
Molecular Formula C16H15F2N5O
Molecular Weight 331.32
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-DESFLUORO VORICONAZOLE, (±)-

SMILES

C[C@@H](C1=CC=NC=N1)[C@](O)(CN2C=NC=N2)C3=C(F)C=C(F)C=C3

InChI

InChIKey=ZVQLILUCRUIFNH-MEDUHNTESA-N
InChI=1S/C16H15F2N5O/c1-11(15-4-5-19-8-21-15)16(24,7-23-10-20-9-22-23)13-3-2-12(17)6-14(13)18/h2-6,8-11,24H,7H2,1H3/t11-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H15F2N5O
Molecular Weight 331.32
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 Thu Jul 06 23:54:34 UTC 2023
Edited
by admin
on Thu Jul 06 23:54:34 UTC 2023
Record UNII
74OPK4PZPP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-DESFLUORO VORICONAZOLE, (±)-
Common Name English
VORICONAZOLE RELATED COMPOUND D
Common Name English
(2RS,3SR)-2-(2,4-DIFLUOROPHENYL)-3-PYRIMIDIN-4-YL-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL
Systematic Name English
VORICONAZOLE IMPURITY B [EP IMPURITY]
Common Name English
4-PYRIMIDINEETHANOL, .ALPHA.-(2,4-DIFLUOROPHENYL)-.BETA.-METHYL-.ALPHA.-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, (R*,S*)-
Systematic Name English
VORICONAZOLE RELATED COMPOUND D [USP-RS]
Common Name English
VORICONAZOLE RELATED COMPOUND D [USP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1718041
Created by admin on Thu Jul 06 23:54:34 UTC 2023 , Edited by admin on Thu Jul 06 23:54:34 UTC 2023
PRIMARY
CAS
182369-73-9
Created by admin on Thu Jul 06 23:54:34 UTC 2023 , Edited by admin on Thu Jul 06 23:54:34 UTC 2023
PRIMARY
FDA UNII
74OPK4PZPP
Created by admin on Thu Jul 06 23:54:34 UTC 2023 , Edited by admin on Thu Jul 06 23:54:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID80171287
Created by admin on Thu Jul 06 23:54:34 UTC 2023 , Edited by admin on Thu Jul 06 23:54:34 UTC 2023
PRIMARY
PUBCHEM
22844239
Created by admin on Thu Jul 06 23:54:34 UTC 2023 , Edited by admin on Thu Jul 06 23:54:34 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP