Home Halogens Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester

Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester

CAS No.:
144171-61-9
Catalog Number:
AG001J24
Molecular Formula:
C22H17ClF3N3O7
Molecular Weight:
527.8345
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Purity
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Product Description
Catalog Number:
AG001J24
Chemical Name:
Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester
CAS Number:
144171-61-9
Molecular Formula:
C22H17ClF3N3O7
Molecular Weight:
527.8345
MDL Number:
MFCD03792834
IUPAC Name:
methyl 7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate
InChI:
InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3
InChI Key:
VBCVPMMZEGZULK-UHFFFAOYSA-N
SMILES:
COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F
EC Number:
604-398-2
Properties
Complexity:
912  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.071g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
527.837g/mol
Monoisotopic Mass:
527.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
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Resistance and cross-resistance to four insecticides in populations of obliquebanded leafroller (Lepidoptera: Tortricidae). Journal of economic entomology 20020801
Nerve membrane ion channels as the target site of insecticides. Mini reviews in medicinal chemistry 20020801
Toxicity, persistence, and efficacy of indoxacarb on cabbage looper (Lepidoptera: Noctuidae) on cabbage. Journal of economic entomology 20020401
Monitoring and characterization of diamondback moth (Lepidoptera: Plutellidae) resistance to spinosad. Journal of economic entomology 20020401
Toxicity of a formulation of the insecticide indoxacarb to the tarnished plant bug, Lygus lineolaris (Hemiptera: Miridae), and the big-eyed bug, Geocoris punctipes (Hemiptera: Lygaeidae). Pest management science 20020101
Susceptibility of adult hymenopteran parasitoids of the Nantucket pine tip moth (Lepidoptera: Tortricidae) to broad-spectrum and biorational insecticides in a laboratory study. Journal of economic entomology 20011001
Efficacy of insecticides of different chemistries against Helicoverpa zea (Lepidoptera: Noctuidae) in transgenic Bacillus thuringiensis and conventional cotton. Journal of economic entomology 20010201
The discovery of indoxacarb: oxadiazines as a new class of pyrazoline-type insecticides. Pest management science 20010201
Indoxacarb, an oxadiazine insecticide, blocks insect neuronal sodium channels. British journal of pharmacology 20010101
Properties