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CHEBI:85628 - tolprocarb

ChEBI IDCHEBI:85628
ChEBI Nametolprocarb
Stars
DefinitionA 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.
Last Modified22 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC16H21F3N2O3
Net Charge0
Average Mass346.349
Monoisotopic Mass346.15043
SMILESCc1ccc(C(=O)NC[C@@H](NC(=O)OCC(F)(F)F)C(C)C)cc1
InChIInChI=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
InChIKeyRSOBJVBYZCMJOS-CYBMUJFWSA-N
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
2,2,2-trifluoroethyl (S)-[2-methyl-1-(p-toluoylaminomethyl)propyl]carbamateAlan Wood's Pesticides
2,2,2-trifluoroethyl N-[(1S)-2-methyl-1-[[(4-methylbenzoyl)amino]methyl]propyl]carbamateAlan Wood's Pesticides
Manual XrefsDatabases
tolprocarbAlan Wood's Pesticides
3080PPDB
Registry NumbersSources
Reaxys:11342132Reaxys
CAS:911499-62-2Alan Wood's Pesticides