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Pyraclonil

CAT: 0804-HY-17531-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17531-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pyraclonil is a proporphyrinogen oxidase (PPO) inhibitor. Pyraclonil is a herbicide agent and is highly effective in controlling the susceptible (S) and multiple-herbicide-resistant (MHR) E. indica populations[1]. Pyraclonil is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
158353-15-2
UNSPSC
12352005
Hazard Statement
H315-H319-H335
Target
Herbicide
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pyraclonil.html
Purity
97.02
Solubility
DMSO : ≥ 30 mg/mL
Smiles
N#CC1=C(N(C)CC#C)N(C2=NN3CCCCC3=C2Cl)N=C1
Molecular Formula
C15H15ClN6
Molecular Weight
314.77
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501
References & Citations
Eleusine indica
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pyraclonil

Pyraclonil is a nitrile, an organochlorine compound, a biaryl and a terminal acetylenic compound. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor.

CAS Number158353-15-2
PubChem CID11563984
IUPAC Name1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-[methyl(prop-2-ynyl)amino]pyrazole-4-carbonitrile
Molecular FormulaC15H15ClN6
Molecular Weight314.77
XLogP2.2
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity507
SMILES
CN(CC#C)C1=C(C=NN1C2=NN3CCCCC3=C2Cl)C#N
InChI
InChI=1S/C15H15ClN6/c1-3-7-20(2)15-11(9-17)10-18-22(15)14-13(16)12-6-4-5-8-21(12)19-14/h1,10H,4-8H2,2H3
InChIKey
IHHMUBRVTJMLQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyraclonil
CAS: 158353-15-2
CID: 11563984
Formula: C15H15ClN6
MW: 314.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.77
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass314.1046722
Monoisotopic Mass314.1046722
Topological Polar Surface Area62.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity507
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

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