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Technical details about Closantel Sodium, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 61438-64-0, Closantel (sodium), 0zbs9yc04p, 61438-64-0 (sodium), Sodium 2-((5-chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)carbamoyl)-4,6-diiodophenolate, Unii-0zbs9yc04p
Molecular Formula
C22H13Cl2I2N2NaO2
Molecular Weight
685.1  g/mol
InChI Key
LREGMDNUOGTSIK-UHFFFAOYSA-M
FDA UNII
0ZBS9YC04P

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2-[[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]carbamoyl]-4,6-diiodophenolate
2.1.2 InChI
InChI=1S/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
2.1.3 InChI Key
LREGMDNUOGTSIK-UHFFFAOYSA-M
2.1.4 Canonical 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.[Na+]
2.2 Other Identifiers
2.2.1 UNII
0ZBS9YC04P
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 61438-64-0

2. Closantel (sodium)

3. 0zbs9yc04p

4. 61438-64-0 (sodium)

5. Sodium 2-((5-chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)carbamoyl)-4,6-diiodophenolate

6. Unii-0zbs9yc04p

7. Einecs 262-794-7

8. Hms3652m14

9. Hy-17596a

10. Akos015894903

11. Ccg-270373

12. Cs-3976

13. Ks-1256

14. Sodium N-(5-chloro-4-((4-chlorophenyl)cyanomethyl)-o-tolyl)-2-hydroxy-3,5-diiodobenzamidate

15. Sw219512-1

16. C75881

17. R-34828

18. Q27251068

19. 5'-chloro-4'-(4-chloro-.alpha.-cyanobenzyl)-3,5-di-iodosalicyl-o-toluidide

20. Benzamide, N-(5-chloro-4-((4-chlorophenyl)cyanomethyl)-2-methylphenyl)-2-hydroxy-3,5-diiodo-, Monosodium Salt

21. N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-3,5-diiodo-2-(sodiooxy)benzamide

22. Sodium 2-(5-chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenylcarbamoyl)-4,6-diiodophenolate

23. Sodium;2-[[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]carbamoyl]-4,6-diiodophenolate

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 685.1 g/mol
Molecular Formula C22H13Cl2I2N2NaO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass683.83412 g/mol
Monoisotopic Mass683.83412 g/mol
Topological Polar Surface Area76 Ų
Heavy Atom Count31
Formal Charge0
Complexity659
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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