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Diclazuril Na

CAT: 0931-T71418-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71418-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112209-99-1
Target
Others, Parasite, Antibiotic
Related Pathways
Others, Microbiology/Virology
Bioactivity
Diclazuril Na is a coccidiostat and GAPDH inhibitor used to prevent parasitic contamination of livestock and poultry feed.
Smiles
O=C1N(N=CC([N-]1)=O)C2=CC(Cl)=C(C(Cl)=C2)C(C3=CC=C(C=C3)Cl)C#N.[Na+]
Molecular Formula
C17H8Cl3N4NaO2
Molecular Weight
429.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Diclazuril sodium
CAS Number112209-99-1
PubChem CID59915424
IUPAC Namesodium 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2-diaza-4-azanidacyclohex-6-en-2-yl)phenyl]acetonitrile
Molecular FormulaC17H8Cl3N4NaO2
Molecular Weight429.6
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity635
SMILES
C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)[N-]C(=O)C=N3)Cl)Cl.[Na+]
InChI
InChI=1S/C17H9Cl3N4O2.Na/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24;/h1-6,8,12H,(H,23,25,26);/q;+1/p-1
InChIKey
HMGDHGGCYNUBOJ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Diclazuril sodium
CAS: 112209-99-1
CID: 59915424
Formula: C17H8Cl3N4NaO2
MW: 429.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass427.961053
Monoisotopic Mass427.961053
Topological Polar Surface Area74.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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