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

Details

Stereochemistry RACEMIC
Molecular Formula C14H20FN3OSi
Molecular Weight 293.412
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SIMECONAZOLE

SMILES

C[Si](C)(C)CC(O)(CN1C=NC=N1)C2=CC=C(F)C=C2

InChI

InChIKey=YABFPHSQTSFWQB-UHFFFAOYSA-N
InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C14H20FN3OSi
Molecular Weight 293.412
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Systemic activity of simeconazole and its derivatives in plants.
2004-09
Evaluation of the systemic activity of simeconazole in comparison with that of other DMI fungicides.
2004-09
Synthesis and fungicidal activity of enantiomerically pure (R)- and (S)-silicon-containing azole fungicides.
2004-07-01
Synthesis of silicon-containing azole derivatives with magnesium bromide diethyl etherate, and an investigation of their fungicidal activities.
2002-12
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:54:53 GMT 2025
Edited
by admin
on Mon Mar 31 22:54:53 GMT 2025
Record UNII
S74F9FQA9F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SIMECONAZOLE
ISO   MI  
Common Name English
MOGARIT
Preferred Name English
1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-(4-FLUOROPHENYL)-.ALPHA.-((TRIMETHYLSILYL)METHYL)
Systematic Name English
SANLIT
Brand Name English
SIMECONAZOLE [ISO]
Common Name English
SIPCONAZOLE
Common Name English
F-155
Code English
SIMECONAZOLE [MI]
Common Name English
Code System Code Type Description
CAS
149508-90-7
Created by admin on Mon Mar 31 22:54:53 GMT 2025 , Edited by admin on Mon Mar 31 22:54:53 GMT 2025
PRIMARY
CAS
1135441-17-6
Created by admin on Mon Mar 31 22:54:53 GMT 2025 , Edited by admin on Mon Mar 31 22:54:53 GMT 2025
SUPERSEDED
PUBCHEM
10085783
Created by admin on Mon Mar 31 22:54:53 GMT 2025 , Edited by admin on Mon Mar 31 22:54:53 GMT 2025
PRIMARY
FDA UNII
S74F9FQA9F
Created by admin on Mon Mar 31 22:54:53 GMT 2025 , Edited by admin on Mon Mar 31 22:54:53 GMT 2025
PRIMARY
MERCK INDEX
m9943
Created by admin on Mon Mar 31 22:54:53 GMT 2025 , Edited by admin on Mon Mar 31 22:54:53 GMT 2025
PRIMARY Merck Index
ALANWOOD
simeconazole
Created by admin on Mon Mar 31 22:54:53 GMT 2025 , Edited by admin on Mon Mar 31 22:54:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID8057980
Created by admin on Mon Mar 31 22:54:53 GMT 2025 , Edited by admin on Mon Mar 31 22:54:53 GMT 2025
PRIMARY