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Synopsis

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Chemistry

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Also known as: 98224-03-4, 98206-09-8, 1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazine, 1-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine, Eltoprazine [inn], 1-(1,4-benzodioxan-5-yl)piperazine

Molecular Formula

C₁₂H₁₆N₂O₂

Molecular Weight

220.27 g/mol

InChI Key

WVLHGCRWEHCIOT-UHFFFAOYSA-N

FDA UNII

510M006KO6

Eltoprazine has been used in trials studying the treatment of Schizophrenia and Cognitive Impairment.

1 2D Structure

Eltoprazine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine

2.1.2 InChI

InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2

2.1.3 InChI Key

WVLHGCRWEHCIOT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C2=C3C(=CC=C2)OCCO3

2.2 Other Identifiers

2.2.1 UNII

510M006KO6

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine

2. Du 28853

3. Du-28853

4. Eltoprazine Hydrochloride

5. Piperazine, 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-, Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 98224-03-4

2. 98206-09-8

3. 1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazine

4. 1-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine

5. Eltoprazine [inn]

6. 1-(1,4-benzodioxan-5-yl)piperazine

7. 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine

8. Chembl282614

9. 510m006ko6

10. 1-(2,3-dihydrobenzo[1,4]dioxin-5-yl)piperazine

11. Eltoprazinum [latin]

12. Eltoprazina [spanish]

13. Ncgc00159533-01

14. Eltoprazina

15. Eltoprazinum

16. Eltoprazine [mi]

17. Eltoprazine [mart.]

18. Schembl177715

19. Piperazine, 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-

20. Zinc1347

21. N-(benzodioxan-5-yl)piperazine

22. Dtxsid5048425

23. Unii-510m006ko6

24. Bcp19313

25. 1-(1,4-benzodioxan-5-yl)piperazin

26. Am1234

27. Bdbm50035057

28. Mfcd00868056

29. Pdsp1_000561

30. Pdsp2_000559

31. Akos016007669

32. 1-(1,4-benzodioxan-5-yl)-piperazine

33. Cs-3216

34. Db12883

35. Sb16767

36. Hy-16687

37. Ft-0667839

38. (2,3-dihydro[1,4]benzodioxin-5-yl)piperazine

39. H11026

40. 4-(2,3-dihydrobenzo[1,4]dioxin-5-yl)piperazine

41. A902315

42. L000982

43. 1-(2,3-dihydrobenzo[1,4]dioxin-5-yl)-piperazine

44. 4-(2,3-dihydrobenzo[1,4]dioxin-5-yl)-piperazine

45. Q5367896

46. 4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine

47. Brd-k86171477-003-01-9

48. (eltoprazine)1-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine

49. 1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazine Hydrochloride Hydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₆N₂O₂
Molecular Weight	220.27 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	220.121177757 g/mol
Monoisotopic Mass	220.121177757 g/mol
Topological Polar Surface Area	33.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	231
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Serotonin Receptor Agonists

Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS. (See all compounds classified as Serotonin Receptor Agonists.)

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