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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H11F2N3O
Molecular Weight 251.232
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R,3R)-

SMILES

C[C@H]1O[C@@]1(CN2C=NC=N2)C3=C(F)C=C(F)C=C3

InChI

InChIKey=QANJLSHZDUOBBP-PRHODGIISA-N
InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H11F2N3O
Molecular Weight 251.232
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 Sat Dec 16 19:56:06 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:06 GMT 2023
Record UNII
X7MPV5WL2Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R,3R)-
Systematic Name English
Efinaconazole Related Impurity 6
Common Name English
1H-1,2,4-Triazole, 1-[[(2R,3R)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-
Systematic Name English
1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-, (2R-trans)-
Systematic Name English
1H-1,2,4-Triazole, 1-[[(2R,3R)-2-(2,4-difluorophenyl)-3-methyl-2-oxiranyl]methyl]-
Systematic Name English
1-[[(2R,3R)-2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl]methyl]-1H-1,2,4-triazole
Systematic Name English
(2R,3R)-2-(2,4-Difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)methyl]oxirane
Systematic Name English
Code System Code Type Description
CAS
135270-13-2
Created by admin on Sat Dec 16 19:56:07 GMT 2023 , Edited by admin on Sat Dec 16 19:56:07 GMT 2023
PRIMARY
PUBCHEM
10705878
Created by admin on Sat Dec 16 19:56:07 GMT 2023 , Edited by admin on Sat Dec 16 19:56:07 GMT 2023
PRIMARY
FDA UNII
X7MPV5WL2Y
Created by admin on Sat Dec 16 19:56:07 GMT 2023 , Edited by admin on Sat Dec 16 19:56:07 GMT 2023
PRIMARY