U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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, (2S,3R)-

SMILES

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

InChI

InChIKey=QANJLSHZDUOBBP-PELKAZGASA-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

Approval Year

Unknown
139594
Name Type Language
1-((2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2S,3R)-
Systematic Name English
1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-, (2S-cis)-
Systematic Name English
1H-1,2,4-Triazole, 1-[[(2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-
Systematic Name English
1-(((2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole
Systematic Name English
Efinaconazole Related Impurity 4
Common Name English
(2S,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
135270-07-4
Created by admin on Sat Dec 16 19:49:01 GMT 2023 , Edited by admin on Sat Dec 16 19:49:01 GMT 2023
PRIMARY
FDA UNII
V52S6F4ZWE
Created by admin on Sat Dec 16 19:49:01 GMT 2023 , Edited by admin on Sat Dec 16 19:49:01 GMT 2023
PRIMARY
PUBCHEM
11379724
Created by admin on Sat Dec 16 19:49:01 GMT 2023 , Edited by admin on Sat Dec 16 19:49:01 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966