Clethodim

CAT: 0804-HY-119896-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-119896-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

Clethodim is a postemergence herbicide. Clethodim shows developmental toxicity and neurotoxicity in zebrafish embryos and larvae[1][2].

CAS Number

99129-21-2

UNSPSC

12352211

Hazard Statement

H302, H317

Target

Herbicide

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Neuroscience-Neuromodulation

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/clethodim.html

Purity

95.0

Solubility

DMSO : ≥ 100 mg/mL

Smiles

O=C1C(/C(CC)=N\OC/C=C/Cl)=C(O)CC(CC(SCC)C)C1

Molecular Formula

C17H26ClNO3S

Molecular Weight

359.91

Precautions

H302, H317

References & Citations

[1]Rodrigo Werle, et al. Distribution of Herbicide-Resistant Shattercane and Johnsongrass Populations in Sorghum Production Areas of Nebraska and Northern Kansas. Agronomy Journal, 108: 321-328.|[2]Wang H, et al. Clethodim exposure induced development toxicity and behaviour alteration in early stages of zebrafish life. Environ Pollut. 2019 Dec;255 (Pt 1) :113218.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C (Powder, protect from light, stored under nitrogen)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Clethodim

structure in first source

CAS Number	99129-21-2
PubChem CID	136469009
IUPAC Name	2-[N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one
Molecular Formula	C17H26ClNO3S
Molecular Weight	359.9
XLogP	3.8
Topological Polar Surface Area	84.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	488

SMILES

CCC(=NOC/C=C/Cl)C1=C(CC(CC1=O)CC(C)SCC)O

InChI

InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14?

InChIKey

SILSDTWXNBZOGF-JWGBMQLESA-N

Chemical Structure

2D Structure

CAS: 99129-21-2

CID: 136469009

Formula: C17H26ClNO3S

MW: 359.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	359.9
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	359.1321926
Monoisotopic Mass	359.1321926
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	488
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T20620-01	Clethodim
AR-C07903-01	Clethodim Impurity 10 (Clethodim Imine Sulfone)
FC20478-01	Clethodim sulfoxide
AR-C07905-01	Clethodim Oxazole
sc-501472	Z-Clethodim
TRC-C573260-100MG	Clethodim Sulfone
AR-C07904-01	Clethodim Imine

Clethodim

Chemical Information

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