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
Synthesis and fungicidal activity of enantiomerically pure (R)- and (S)-silicon-containing azole fungicides.
2004 Jul 1
Systemic activity of simeconazole and its derivatives in plants.
2004 Sep
Evaluation of the systemic activity of simeconazole in comparison with that of other DMI fungicides.
2004 Sep
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:55:02 GMT 2023
Edited
by admin
on Sat Dec 16 09:55:02 GMT 2023
Record UNII
S74F9FQA9F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SIMECONAZOLE
ISO   MI  
Common 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
MOGARIT
Brand 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 Sat Dec 16 09:55:03 GMT 2023 , Edited by admin on Sat Dec 16 09:55:03 GMT 2023
PRIMARY
CAS
1135441-17-6
Created by admin on Sat Dec 16 09:55:03 GMT 2023 , Edited by admin on Sat Dec 16 09:55:03 GMT 2023
SUPERSEDED
PUBCHEM
10085783
Created by admin on Sat Dec 16 09:55:03 GMT 2023 , Edited by admin on Sat Dec 16 09:55:03 GMT 2023
PRIMARY
FDA UNII
S74F9FQA9F
Created by admin on Sat Dec 16 09:55:03 GMT 2023 , Edited by admin on Sat Dec 16 09:55:03 GMT 2023
PRIMARY
MERCK INDEX
m9943
Created by admin on Sat Dec 16 09:55:03 GMT 2023 , Edited by admin on Sat Dec 16 09:55:03 GMT 2023
PRIMARY Merck Index
ALANWOOD
simeconazole
Created by admin on Sat Dec 16 09:55:03 GMT 2023 , Edited by admin on Sat Dec 16 09:55:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID8057980
Created by admin on Sat Dec 16 09:55:03 GMT 2023 , Edited by admin on Sat Dec 16 09:55:03 GMT 2023
PRIMARY