Pyraclonil (Standard)

CAT: 0804-HY-17531RSize: 1 EachDry Ice: NoHazardous: No

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Description

Pyraclonil (Standard) is the analytical standard of Pyraclonil. This product is intended for research and analytical applications. 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

Target

Herbicide; Reference Standards

Type

Reference Standards

Related Pathways

Metabolic Enzyme/Protease; Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/pyraclonil-standard.html

Smiles

N#CC1=C(N(C)CC#C)N(C2=NN3CCCCC3=C2Cl)N=C1

Molecular Formula

C15H15ClN6

Molecular Weight

314.77

References & Citations

Eleusine indica

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

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 Number	158353-15-2
PubChem CID	11563984
IUPAC Name	1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-[methyl(prop-2-ynyl)amino]pyrazole-4-carbonitrile
Molecular Formula	C15H15ClN6
Molecular Weight	314.77
XLogP	2.2
Topological Polar Surface Area	62.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	507

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

CAS: 158353-15-2

CID: 11563984

Formula: C15H15ClN6

MW: 314.77

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	314.77
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	314.1046722
Monoisotopic Mass	314.1046722
Topological Polar Surface Area	62.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	507
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
FP162281-01	Pyraclonil
A21070-200	Pyraclonil 200mg
A21070-25	Pyraclonil 25mg
A21070-100	Pyraclonil 100mg
A21070-5	Pyraclonil 5mg
A21070-50	Pyraclonil 50mg
A21070-1	Pyraclonil 1mg
A21070-10	Pyraclonil 10mg
AR-P33206-01	Pyraclonil Impurity 1
AR-P33210-01	Pyraclonil Impurity 5

Pyraclonil (Standard)

Chemical Information

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