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Technical details about Niclosamide Piperazine, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 34892-17-6, Taenifugin, Fenasal piperazine, Phenasal piperazine, Niclosamid-piperazin, Niclosamide piperazine salt
Molecular Formula
C17H18Cl2N4O4
Molecular Weight
413.3  g/mol
InChI Key
IAIUNINVFIUGNZ-UHFFFAOYSA-N
FDA UNII
813L87CE24

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide;piperazine
2.1.2 InChI
InChI=1S/C13H8Cl2N2O4.C4H10N2/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;1-2-6-4-3-5-1/h1-6,18H,(H,16,19);5-6H,1-4H2
2.1.3 InChI Key
IAIUNINVFIUGNZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNCCN1.C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
2.2 Other Identifiers
2.2.1 UNII
813L87CE24
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 34892-17-6

2. Taenifugin

3. Fenasal Piperazine

4. Phenasal Piperazine

5. Niclosamid-piperazin

6. Niclosamide Piperazine Salt

7. Niclosamide-piperazine

8. Fenasal Piperazine Salt

9. Einecs 252-274-8

10. 813l87ce24

11. 5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide;piperazine

12. Benzamide, 5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxy-, Compd. With Piperazine (1:1)

13. Piperazine, Compd. With 5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide (1:1)

14. Niclosamid-piperazin [who-dd]

15. Unii-813l87ce24

16. 5-chloro-n-(2-chloro-4-nitrophenyl)salicylamide, Compound With Piperazine

17. Dtxsid40956370

18. 5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide Compound With Piperazine (1:1)

19. 36466-48-5

20. Ft-0701251

21. 892n176

22. Q27269192

23. 5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxybenzene-1-carboximidic Acid--piperazine (1/1)

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 413.3 g/mol
Molecular Formula C17H18Cl2N4O4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass412.0705105 g/mol
Monoisotopic Mass412.0705105 g/mol
Topological Polar Surface Area119 Ų
Heavy Atom Count27
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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