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(±) -Indoxacarb

CAT: 0013-GTR19243486-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243486-03Size:25 mg
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Description
Indoxacarb ((±) -Indoxacarb; DPX-JW062) is a broad-spectrum oxadiazine insecticide with high insecticidal activity and low mammalian toxicity. Indoxacarb blocks insect sodium channels (Sodium Channel) in nerve preparations and isolated neurons.
CAS Number
144171-61-9
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 12.5 mg/mL (23.68 mM; Ultrasonic (<60°C)
Smiles
COC (=O) N (C (=O) N1CO[C@]2 (Cc3cc (Cl) ccc3C2=N1) C (=O) OC) c1ccc (OC (F) (F) F) cc1
Molecular Formula
C22H17ClF3N3O7
Molecular Weight
527.83
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Indoxacarb, (+-)-
CAS Number144171-61-9
PubChem CID9936739
IUPAC Namemethyl 7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate
Molecular FormulaC22H17ClF3N3O7
Molecular Weight527.8
XLogP4.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity912
SMILES
COC(=O)C12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl
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
InChIKey
VBCVPMMZEGZULK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indoxacarb, (+-)-
CAS: 144171-61-9
CID: 9936739
Formula: C22H17ClF3N3O7
MW: 527.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.8
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass527.0707121
Monoisotopic Mass527.0707121
Topological Polar Surface Area107 Ų
Heavy Atom Count36
Formal Charge0
Complexity912
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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