tolprocarb (CHEBI:85628)

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ChEBI Name	tolprocarb

ChEBI ID	CHEBI:85628

Definition	A carbamate ester that is the 2,2,2-trifluoroethyl ester of [(2S)-3-methyl-1-(4-methylbenzamido)butan-2-yl]carbamic acid. It is a novel systemic fungicide used for controlling rice blast.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

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Formula

C16H21F3N2O3

Net Charge

Average Mass

346.34470

Monoisotopic Mass

346.15043

InChI

InChI=1S/C16H21F3N2O3/c1-10(2)13(21-15(23)24-9-16(17,18)19)8-20-14(22)12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,20,22)(H,21,23)/t13-/m1/s1

InChIKey

RSOBJVBYZCMJOS-CYBMUJFWSA-N

SMILES

CC(C)[C@@H](CNC(=O)c1ccc(C)cc1)NC(=O)OCC(F)(F)F

Roles Classification
Biological Role(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via carbamate fungicide )

Application(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. (via carbamate fungicide )

ChEBI Ontology
Outgoing	tolprocarb (CHEBI:85628) has role antifungal agrochemical (CHEBI:86328) tolprocarb (CHEBI:85628) is a benzamides (CHEBI:22702) tolprocarb (CHEBI:85628) is a carbamate ester (CHEBI:23003) tolprocarb (CHEBI:85628) is a carbamate fungicide (CHEBI:87061) tolprocarb (CHEBI:85628) is a organofluorine compound (CHEBI:37143)

IUPAC Name

2,2,2-trifluoroethyl [(2S)-3-methyl-1-(4-methylbenzamido)butan-2-yl]carbamate

Synonyms	Sources
2,2,2-trifluoroethyl (S)-[2-methyl-1-(p-toluoylaminomethyl)propyl]carbamate	Alan Wood's Pesticides
2,2,2-trifluoroethyl N-[(1S)-2-methyl-1-[[(4-methylbenzoyl)amino]methyl]propyl]carbamate	Alan Wood's Pesticides

Last Modified

22 July 2015