Basic Information | Post buying leads | Suppliers |
Name |
Closantel sodium |
EINECS | 262-794-7 |
CAS No. | 61438-64-0 | Density | N/A |
PSA | 113.25000 | LogP | 4.51228 |
Solubility | N/A | Melting Point |
>230oC (dec.) |
Formula | C23H15Cl2I2N2NaO4 | Boiling Point | 590.5 °C at 760 mmHg |
Molecular Weight | 685.06 | Flash Point | 310.9 °C |
Transport Information | N/A | Appearance | powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzamide,N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodo-,sodium salt (1:1);Benzamide,N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodo-,monosodium salt (9CI);Closantel sodium salt; |
Molecular Structure of Closantel sodium (CAS NO.61438-64-0):
IUPAC Name: Sodium 2-[[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]carbamoyl]-1-hydroxy-4,6-diiodocyclohexa-2,4-diene-1-carboxylate
Molecular Weight: 731.08091 [g/mol]
Molecular Formula: C23H15Cl2I2N2NaO4
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 729.839593
MonoIsotopic Mass: 729.839593
Topological Polar Surface Area: 113
Heavy Atom Count: 34
Complexity: 903
EINECS: 262-794-7
Flash Point: 310.9 °C
Enthalpy of Vaporization: 91.36 kJ/mol
Boiling Point: 590.5 °C at 760 mmHg
Vapour Pressure: 1.53E-14 mmHg at 25 °C
SMILES: [Na+].Clc1cc(c(cc1C(C#N)c2ccc(Cl)cc2)C)NC(=O)c3cc(I)cc(I)c3[O-]
InChI: InChI=1/C22H14Cl2I2N2O2.Na/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);/q;+1/p-1
InChIKey: LREGMDNUOGTSIK-REWHXWOFAU
Closantel sodium (CAS NO.61438-64-0), its Synonyms are Sodium N-(5-Chloro-4-((4-chlorophenyl)cyanomethyl)-o-tolyl)-2-hydroxy-3,5-diiodobenzamidate ; Closantel sodium salt ; Benzamide,N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodo-,monosodium salt (9CI) .