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Details

Stereochemistry UNKNOWN
Molecular Formula C10H9F2N3O
Molecular Weight 225.1948
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-(2,4-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL

SMILES

OC(CN1C=NC=N1)C2=CC=C(F)C=C2F

InChI

InChIKey=NQNSXRYFTHGTTO-UHFFFAOYSA-N
InChI=1S/C10H9F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6,10,16H,4H2

HIDE SMILES / InChI

Molecular Formula C10H9F2N3O
Molecular Weight 225.1948
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:36:49 GMT 2023
Edited
by admin
on Sat Dec 16 14:36:49 GMT 2023
Record UNII
KX22UA4JX9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-(2,4-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL
Systematic Name English
1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(2,4-DIFLUOROPHENYL)-
Systematic Name English
UK 215364
Code English
EFINACONAZOLE METABOLITE H3
Common Name English
1-(2,4-DIFLUOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)ETHANOL
Systematic Name English
PIPERIDINE DIOL
Common Name English
Code System Code Type Description
PUBCHEM
6426669
Created by admin on Sat Dec 16 14:36:49 GMT 2023 , Edited by admin on Sat Dec 16 14:36:49 GMT 2023
PRIMARY
CAS
206050-23-9
Created by admin on Sat Dec 16 14:36:49 GMT 2023 , Edited by admin on Sat Dec 16 14:36:49 GMT 2023
PRIMARY
FDA UNII
KX22UA4JX9
Created by admin on Sat Dec 16 14:36:49 GMT 2023 , Edited by admin on Sat Dec 16 14:36:49 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
In-vivo, H3 was the major metabolite in human plasma and it is inactive. This was the only metabolite that was higher or equal to efinaconazole levels
MAJOR
PLASMA