CHEBI:133237 - indaziflam

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ChEBI Name indaziflam ChEBI ID CHEBI:133237 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB6393704, ChemicalBook:CB8874926, eMolecules:502015, ZINC000008681670 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H20FN5 Net Charge 0 Average Mass 301.363 Monoisotopic Mass 301.17027 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 SMILES N1=C(N=C(N=C1C(C)F)N)N[C@@]2([C@H](CC3=C2C=C(C=C3)C)C)[H] Roles Classification Biological Role(s): cellulose synthesis inhibitor An pathway inhibitor that inhibits the synthesis of cellulose. Application(s): herbicide A substance used to destroy plant pests. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources indaziflame ChEBI 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)-2,3-dihydro-2,6-dimethyl-1H-inden-1-yl]-6-[(1RS)-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 Sources Alion ChEBI DuraZone ChEBI Esplanade ChEBI Specticle ChEBI Manual Xrefs Databases 1663 PPDB indaziflam Alan Wood's Pesticides View more database links Registry Numbers Types Sources 20920435 Reaxys Registry Number Reaxys 950782-86-2 CAS Registry Number ChemIDplus 950782-86-2 CAS Registry Number Alan Wood's Pesticides Citations Last Modified 30 October 2016

General Comment 2016-10-26 See also DOI: 10.1021/bk-2015-1204.ch017