indaziflam (CHEBI:133237)

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CHEBI:133237 - indaziflam

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ChEBI ID	CHEBI:133237
ChEBI Name	indaziflam
Stars
Definition	A diastereoisomeric mixture of the two fluoroethyl diastereoisomers of N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine in which the indane moiety has 1R,2S configuration. A cellulose biosynthesis inhibitor, it is used as a pre-emergence herbicide for the control of annual grasses and broad-leaved weeds in citrus, grapes, fruit trees, Christmas tree farms, lawns and sports fields. The two diastereoisomers have very similar biological activity; commercial material is a 95:5 mixture of the (1R,2S,fluoroethyl-R) and (1R,2S,fluoroethyl-S) diastereoisomers.
Last Modified	30 October 2016
Submitter	Gareth Owen
Downloads	Molfile

Formula	C16H20FN5
Net Charge	0
Average Mass	301.369
Monoisotopic Mass	301.17027
SMILES	[H][C@]1(Nc2nc(N)nc(C(C)F)n2)c2cc(C)ccc2C[C@@H]1C
InChI	InChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)/t9-,10?,13+/m0/s1
InChIKey	YFONKFDEZLYQDH-BOURZNODSA-N

Roles Classification

Biological Role:	cellulose synthesis inhibitor An pathway inhibitor that inhibits the synthesis of cellulose.
Application:	herbicide A substance used to destroy plant pests.

ChEBI Ontology

Outgoing Relation(s)
	indaziflam (CHEBI:133237) has part N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (CHEBI:133238)
	indaziflam (CHEBI:133237) has part N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (CHEBI:133239)
	indaziflam (CHEBI:133237) has role cellulose synthesis inhibitor (CHEBI:63958)
	indaziflam (CHEBI:133237) has role herbicide (CHEBI:24527)
	indaziflam (CHEBI:133237) is a diastereoisomeric mixture (CHEBI:60915)

Synonyms	Source
indaziflame	ChEBI
N²-[(1R,2S)-2,3-dihydro-2,6-dimethyl-1H-inden-1-yl]-6-[(1RS)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine	Alan Wood's Pesticides
N-[(1R,2S)-2,3-dihydro-2,6-dimethyl-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine	Alan Wood's Pesticides
N²-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-[(1Ξ)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine	Alan Wood's Pesticides

Brand Names	Source
Specticle	ChEBI
Esplanade	ChEBI
Alion	ChEBI
DuraZone	ChEBI

Manual Xrefs	Databases
indaziflam	Alan Wood's Pesticides
1663	PPDB

Registry Numbers	Sources
Reaxys:20920435	Reaxys
CAS:950782-86-2	Alan Wood's Pesticides
CAS:950782-86-2	ChemIDplus

Citations