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Triforine (Standard)

CAT: 0804-HY-B2056RSize: 1 EachDry Ice: NoHazardous: No
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Description
Triforine (Standard) is the analytical standard of Triforine. This product is intended for research and analytical applications. Triforine (CELA W 524), a systemic fungicide, was shown to display a moderate to distinct fungitoxic activity in vitro towards several pathogenic and non-pathogenic fungi[1].
CAS Number
26644-46-2
Product Name Alternative
CELA W 524 (Standard)
UNSPSC
12352005
Target
Fungal; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/triforine-standard.html
Smiles
ClC(Cl)(Cl)C(NC=O)N1CCN(C(NC=O)C(Cl)(Cl)Cl)CC1
Molecular Formula
C10H14Cl6N4O2
Molecular Weight
434.96
References & Citations
[1]Fuchs, A, et al. Laboratory and greenhouse evaluation of a new systemic fungicide, NN'-bis- (1-formamido-2,2,2, -trichloroethyl) -piperazine (CELA W 524) [1971]. Netherlands journal of plant pathology. ISSN : 0028-2944.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Triforine

Triforine can cause developmental toxicity according to The Environmental Protection Agency (EPA).

CAS Number26644-46-2
PubChem CID33565
IUPAC NameN-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide
Molecular FormulaC10H14Cl6N4O2
Molecular Weight435.0
XLogP2.8
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity345
SMILES
C1CN(CCN1C(C(Cl)(Cl)Cl)NC=O)C(C(Cl)(Cl)Cl)NC=O
InChI
InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)
InChIKey
RROQIUMZODEXOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triforine
CAS: 26644-46-2
CID: 33565
Formula: C10H14Cl6N4O2
MW: 435.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.0
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass433.921842
Monoisotopic Mass431.924792
Topological Polar Surface Area64.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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