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Details

Stereochemistry RACEMIC
Molecular Formula C16H13ClF3N5O
Molecular Weight 383.756
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Chloro-?-(2,4-difluorophenyl)-5-fluoro-?-methyl-?-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol, (?R,?R)-rel-

SMILES

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

InChI

InChIKey=BQDLXFABVRRDFU-JDNHERCYSA-N
InChI=1S/C16H13ClF3N5O/c1-9(14-13(20)15(17)23-7-22-14)16(26,5-25-8-21-6-24-25)11-3-2-10(18)4-12(11)19/h2-4,6-9,26H,5H2,1H3/t9-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H13ClF3N5O
Molecular Weight 383.756
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 Wed Apr 02 17:51:56 GMT 2025
Edited
by admin
on Wed Apr 02 17:51:56 GMT 2025
Record UNII
NZ947DY4H2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Chloro-?-(2,4-difluorophenyl)-5-fluoro-?-methyl-?-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol, (?R,?R)-rel-
Systematic Name English
Voriconazole 3-Epimer
Preferred Name English
rel-(?R,?R)-6-Chloro-?-(2,4-difluorophenyl)-5-fluoro-?-methyl-?-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
Systematic Name English
4-Pyrimidineethanol, 6-chloro-?-(2,4-difluorophenyl)-5-fluoro-?-methyl-?-(1H-1,2,4-triazol-1-ylmethyl)-, (R*,R*)-
Systematic Name English
4-Pyrimidineethanol, 6-chloro-?-(2,4-difluorophenyl)-5-fluoro-?-methyl-?-(1H-1,2,4-triazol-1-ylmethyl)-, (?R,?R)-rel-
Systematic Name English
Code System Code Type Description
FDA UNII
NZ947DY4H2
Created by admin on Wed Apr 02 17:51:56 GMT 2025 , Edited by admin on Wed Apr 02 17:51:56 GMT 2025
PRIMARY
CAS
137234-76-5
Created by admin on Wed Apr 02 17:51:56 GMT 2025 , Edited by admin on Wed Apr 02 17:51:56 GMT 2025
PRIMARY
PUBCHEM
29414417
Created by admin on Wed Apr 02 17:51:56 GMT 2025 , Edited by admin on Wed Apr 02 17:51:56 GMT 2025
PRIMARY