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| CAS No.: | 61438-64-0 |
|---|---|
| Name: | Closantel sodium |
| Molecular Structure: | |
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| Formula: | C23H15Cl2I2N2NaO4 |
| Molecular Weight: | 685.06 |
| 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; |
| EINECS: | 262-794-7 |
| Melting Point: | >230oC (dec.) |
| Boiling Point: | 590.5 °C at 760 mmHg |
| Flash Point: | 310.9 °C |
| Appearance: | powder |
| PSA: | 113.25000 |
| LogP: | 4.51228 |
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Chemistry
Molecular Structure of Closantel sodium (CAS NO.61438-64-0):
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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
Specification
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) .