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GABA receptor antagonist 2

CAT: 0013-GTR19264130-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264130-01Size:10 mg
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Description
GABA receptor antagonist 2 (Compound IId) is a GABA receptor blocker with an LC50 of 0.0735 μg/mL against Plutella xylostella (P. xylostella) . This compound exhibits significant insecticidal activity against P. xylostella and its resistant strains, as well as against Spodoptera frugiperda and Chilo suppressalis. GABA receptor antagonist 2 can bind to the GABA receptor at the Drosophila RdlG335 site and is useful for managing resistant pest populations.
CAS Number
2922115-20-4
Field of Research
Neuroscience, Neuroscience; Pharmacology & Drug Discovery, Pharmacology & Drug Discovery
Smiles
O=C (NC1=C (Br) C=C (C=C1C (F) (F) F) C (F) (C (F) (F) F) C (F) (F) F) C2=CC=CC (=C2F) N (C (=O) C3=CC=C (F) C=C3) CCOC
Molecular Formula
C27H17BrF12N2O3
Molecular Weight
725.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Trioxyflanilide

Trioxyflanilide is a secondary carboxamide resulting from the formal condensation of the carboxy group of 2-fluoro-3-[(4-fluorobenzoyl)(2-methoxyethyl)amino]benzoic acid with the amino group of 2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)aniline. It is an insecticide developed by Zhejiang Udragon Pesticides and Chemicals Co. Ltd. It has a role as an insecticide. It is a secondary carboxamide, a tertiary carboxamide, a member of benzamides, an ether, a member of bromobenzenes, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.

CAS Number2922115-20-4
PubChem CID168156250
IUPAC NameN-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-2-fluoro-3-[(4-fluorobenzoyl)-(2-methoxyethyl)amino]benzamide
Molecular FormulaC27H17BrF12N2O3
Molecular Weight725.3
XLogP7.6
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity1000
SMILES
COCCN(C1=CC=CC(=C1F)C(=O)NC2=C(C=C(C=C2Br)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C27H17BrF12N2O3/c1-45-10-9-42(23(44)13-5-7-15(29)8-6-13)19-4-2-3-16(20(19)30)22(43)41-21-17(25(32,33)34)11-14(12-18(21)28)24(31,26(35,36)37)27(38,39)40/h2-8,11-12H,9-10H2,1H3,(H,41,43)
InChIKey
OCIJEJDYEIAIKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trioxyflanilide
CAS: 2922115-20-4
CID: 168156250
Formula: C27H17BrF12N2O3
MW: 725.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight725.3
XLogP37.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass724.02309
Monoisotopic Mass724.02309
Topological Polar Surface Area58.6 Ų
Heavy Atom Count45
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes