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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H13F2N3O2
Molecular Weight 269.2473
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol, (2R,3R)-

SMILES

C[C@@H](O)[C@](O)(CN1C=NC=N1)C2=CC=C(F)C=C2F

InChI

InChIKey=LSCNANBNVFQJDJ-PRHODGIISA-N
InChI=1S/C12H13F2N3O2/c1-8(18)12(19,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8,18-19H,5H2,1H3/t8-,12-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol, (2R,3R)-
Systematic Name English
(2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol
Systematic Name English
EFINACONAZOLE METABOLITE H2
Common Name English
2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, [R-(R*,R*)]-
Systematic Name English
2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-
Systematic Name English
(2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol
Systematic Name English
Code System Code Type Description
PUBCHEM
10286074
Created by admin on Sat Dec 16 14:43:01 GMT 2023 , Edited by admin on Sat Dec 16 14:43:01 GMT 2023
PRIMARY
CAS
133775-25-4
Created by admin on Sat Dec 16 14:43:01 GMT 2023 , Edited by admin on Sat Dec 16 14:43:01 GMT 2023
PRIMARY
FDA UNII
1F8K4N408B
Created by admin on Sat Dec 16 14:43:01 GMT 2023 , Edited by admin on Sat Dec 16 14:43:01 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of EFINACONAZOLE
NIH
NCATS
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