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Closantel

CAT: 0607-B1714-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1714-50Size:50 mg
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Description
Gram positive antibacterial activity inhibitor
CAS Number
57808-65-8
Product Name Alternative
N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide
Purity
0.9877
Form
A solid
Solubility
≥29.9 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
CC1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2O)I)I)Cl)C(C#N)C3=CC=C(C=C3)Cl
Molecular Formula
C22H14Cl2I2N2O2
Molecular Weight
663.07
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Closantel

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide is an aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively. It is a nitrile, a monocarboxylic acid amide, a member of phenols, an organoiodine compound, an aromatic amide and a member of monochlorobenzenes.

CAS Number57808-65-8
PubChem CID42574
IUPAC NameN-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide
Molecular FormulaC22H14Cl2I2N2O2
Molecular Weight663.1
XLogP7.2
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity652
SMILES
CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)O)Cl)C(C#N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)
InChIKey
JMPFSEBWVLAJKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Closantel
CAS: 57808-65-8
CID: 42574
Formula: C22H14Cl2I2N2O2
MW: 663.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight663.1
XLogP37.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass661.85218
Monoisotopic Mass661.85218
Topological Polar Surface Area73.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity652
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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