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Pyridate

CAT: 0804-HY-122217-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-122217-02Size:100 mg
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Description
Pyridate (CL 11344) is a herbicide, which is used in the agricultural management of cereals, maize and rape[1].
CAS Number
55512-33-9
Product Name Alternative
CL 11344
UNSPSC
12352005
Hazard Statement
H302, H315, H317, H410
Target
Herbicide
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pyridate.html
Solubility
10 mM in DMSO
Smiles
S=C(OC1=CC(Cl)=NN=C1C2=CC=CC=C2)OC(CCCCCC)C
Molecular Formula
C19H23ClN2O2S
Molecular Weight
378.92
Precautions
H302, H315, H317, H410
References & Citations
[1]Pachinger A, et al. Determination of a metabolite of the herbicide pyridate in drinking and groundwater using high-performance liquid chromatography with amperometric detection. J Chromatogr. 1991 Oct 11;558 (2) :369-73.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pyridate

Pyridate is a member of pyridazines.

CAS Number55512-33-9
PubChem CID41463
IUPAC Name(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.9
XLogP6.6
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity380
SMILES
CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl
InChI
InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3
InChIKey
JTZCTMAVMHRNTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridate
CAS: 55512-33-9
CID: 41463
Formula: C19H23ClN2O2S
MW: 378.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.9
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass378.1168768
Monoisotopic Mass378.1168768
Topological Polar Surface Area77.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity380
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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