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

Details

Stereochemistry RACEMIC
Molecular Formula C20H19ClF3N3O2
Molecular Weight 425.832
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IPFENTRIFLUCONAZOLE

SMILES

CC(C)C(O)(CN1C=NC=N1)C2=C(C=C(OC3=CC=C(Cl)C=C3)C=C2)C(F)(F)F

InChI

InChIKey=SIIJJFOXEOHODQ-UHFFFAOYSA-N
InChI=1S/C20H19ClF3N3O2/c1-13(2)19(28,10-27-12-25-11-26-27)17-8-7-16(9-18(17)20(22,23)24)29-15-5-3-14(21)4-6-15/h3-9,11-13,28H,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H19ClF3N3O2
Molecular Weight 425.832
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 19:08:08 GMT 2023
Edited
by admin
on Sat Dec 16 19:08:08 GMT 2023
Record UNII
M6SES3SPZ9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IPFENTRIFLUCONAZOLE
ISO  
Official Name English
1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(4-(4-CHLOROPHENOXY)-2-(TRIFLUOROMETHYL)PHENYL)-.ALPHA.-(1-METHYLETHYL)-
Systematic Name English
IPFENTRIFLUCONAZOLE [ISO]
Common Name English
2-(4-(4-CHLOROPHENOXY)-2-(TRIFLUOROMETHYL)PHENYL)-3-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL
Systematic Name English
2-(4-(4-CHLOROPHENOXY)-2-(TRIFLUOROMETHYL)PHENYL)-3-METHYL-1-(1,2,4-TRIAZOL-1-YL)BUTAN-2-OL
Systematic Name English
RAC-(2R)-2-(4-(4-CHLOROPHENOXY)-2-(TRIFLUOROMETHYL)PHENYL)-3-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL
Systematic Name English
(2RS)-2-(4-(4-CHLOROPHENOXY)-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-O-TOLYL)-3-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL
Systematic Name English
.ALPHA.-(4-(4-CHLOROPHENOXY)-2-(TRIFLUOROMETHYL)PHENYL)-.ALPHA.-(1-METHYLETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL
Systematic Name English
(2RS)-2-(4-(4-CHLOROPHENOXY)-2-(TRIFLUOROMETHYL)PHENYL)-3-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID101023470
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
ALANWOOD
ipfentrifluconazole
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
CAS
1417782-08-1
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
PUBCHEM
71230673
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
FDA UNII
M6SES3SPZ9
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY