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2D Structure
Also known as: Pipoxolan hcl, Rowapraxin, 18174-58-8, Pipoxolan hydrochloride [usan], Br-18, Via6wm647s
Molecular Formula
C22H26ClNO3
Molecular Weight
387.9  g/mol
InChI Key
JXNQXJVDHXGEPU-UHFFFAOYSA-N
FDA UNII
VIA6WM647S

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride
2.1.2 InChI
InChI=1S/C22H25NO3.ClH/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13,20H,3,8-9,14-17H2;1H
2.1.3 InChI Key
JXNQXJVDHXGEPU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCN(CC1)CCC2OC(=O)C(O2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
2.2 Other Identifiers
2.2.1 UNII
VIA6WM647S
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5,5-diphenyl-2-(beta-n-piperidinoethyl)-1,3-dioxolan-4-one

2. Br 18

3. Br-18

4. Pipoxolan

5. Pipoxolan Monohydrochloride

6. Rowapraxin

2.3.2 Depositor-Supplied Synonyms

1. Pipoxolan Hcl

2. Rowapraxin

3. 18174-58-8

4. Pipoxolan Hydrochloride [usan]

5. Br-18

6. Via6wm647s

7. 5,5-diphenyl-2-(2-piperidinoethyl)-1,3-dioxolan-4-one Hydrochloride

8. 1,3-dioxolan-4-one, 5,5-diphenyl-2-(2-piperidinoethyl)-, Hydrochloride

9. Rowapraxin (tn)

10. 5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one;hydrochloride

11. 1,3-dioxolan-4-one, 5,5-diphenyl-2-(2-(1-piperidinyl)ethyl)-, Hydrochloride

12. Br 18

13. Pipoxolan Hydrochloride (usan)

14. Unii-via6wm647s

15. Pipoxolanhydrochlorid

16. 2-(beta-n-piperidylethyl)-4,4-diphenyl-1,3-dioxolan-5-one Hydrochloride

17. 5,5-diphenyl-2-(2-(1-piperidinyl)ethyl)-1,3-dioxolan-4-one Hydrochloride

18. Dsstox_cid_31461

19. Dsstox_rid_97347

20. Dsstox_gsid_57672

21. Schembl24264

22. Chembl2104727

23. Dtxsid5057672

24. Pipoxolan Hydrochloride [mi]

25. Tox21_113956

26. Pipoxolan Hydrochloride [mart.]

27. Pipoxolan Hydrochloride [who-dd]

28. Ncgc00262965-01

29. Cas-18174-58-8

30. D05488

31. N-(5-aminopentyl)-1-naphthalenesulfonamidehcl

32. Q27291850

33. 2-(.beta.-n-piperidylethyl)-4,4-diphenyl-1,3-dioxolan-5-one Hydrochloride

34. 5,5-diphenyl-2-(2'-piperidinoethyl)-1,3-dioxolan-4-one Hydrochloride

35. 1,3-dioxolan-4-one, 5,5-diphenyl-2-(2-(1-piperidinyl)ethyl)-, Hydrochloride (1:1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 387.9 g/mol
Molecular Formula C22H26ClNO3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass387.1601214 g/mol
Monoisotopic Mass387.1601214 g/mol
Topological Polar Surface Area38.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity444
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2