Niclosamide Piperazine

Synopsis, Chemistry

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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

Niclosamide Piperazine

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 Formula	C₁₇H₁₈Cl₂N₄O₄
Molecular Weight	413.3 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	412.0705105 g/mol
Monoisotopic Mass	412.0705105 g/mol
Topological Polar Surface Area	119 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	431
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2