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Pyflubumide

CAT: 0926-BMB91455-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-BMB91455-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
926914-55-8
Smiles
CC1=C (C (=NN1C) C) C (=O) N (C2=CC (=C (C=C2) C (C (F) (F) F) (C (F) (F) F) OC) CC (C) C) C (=O) C (C) C
Molecular Formula
C25H31F6N3O3
Molecular Weight
535.5 g/mol
Controlled
No

Chemical Information

Pyflubumide

Pyflubumide is a dicarboximide resulting from the formal condensation of the amino group of 4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-3-isobutylaniline with isobutyric acid and with 1,3,5-trimethylpyrazole-4-carboxylic acid. Developed by Nihon Nohyaku Co. Ltd. (Japan), it is a pro-acaricide, with its metabolite (the -NH form lacking the isubutanoyl group) exhibiting high activity on mitochondrial complex II. It has been reported to be very effective in controlling spider mites (Tetranychus, Oligonychus, and Panonychus species) during all life stages. It is an ether, a member of pyrazoles, a dicarboximide and an organofluorine acaricide.

CAS Number926914-55-8
PubChem CID73777241
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-3-(2-methylpropyl)phenyl]-1,3,5-trimethyl-N-(2-methylpropanoyl)pyrazole-4-carboxamide
Molecular FormulaC25H31F6N3O3
Molecular Weight535.5
XLogP6.2
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity802
SMILES
CC1=C(C(=NN1C)C)C(=O)N(C2=CC(=C(C=C2)C(C(F)(F)F)(C(F)(F)F)OC)CC(C)C)C(=O)C(C)C
InChI
InChI=1S/C25H31F6N3O3/c1-13(2)11-17-12-18(9-10-19(17)23(37-8,24(26,27)28)25(29,30)31)34(21(35)14(3)4)22(36)20-15(5)32-33(7)16(20)6/h9-10,12-14H,11H2,1-8H3
InChIKey
DZVWKNFPXMUIFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyflubumide
CAS: 926914-55-8
CID: 73777241
Formula: C25H31F6N3O3
MW: 535.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.5
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass535.22696083
Monoisotopic Mass535.22696083
Topological Polar Surface Area64.4 Ų
Heavy Atom Count37
Formal Charge0
Complexity802
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

Alternative Products

CatalogName
RM-P534001-01Pyflubumide
TRC-D293710-50MGN-Des(isobutyraldehyde) Pyflubumide

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