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Chemistry

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Also known as: 118499-70-0, Ipidacrine hcl hydrate, 2,3,5,6,7,8-hexahydro-1h-cyclopenta[b]quinolin-9-amine hydrochloride hydrate, Senita, Ipidacrine hydrochloride monohydrate, Nik-247
Molecular Formula
C12H19ClN2O
Molecular Weight
242.74  g/mol
InChI Key
SBTIBNSPYUUNGA-UHFFFAOYSA-N
FDA UNII
OV96AIK79Q

Ipidacrine Hydrochloride Hydrate
1 2D Structure

Ipidacrine Hydrochloride Hydrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride
2.1.2 InChI
InChI=1S/C12H16N2.ClH.H2O/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12;;/h1-7H2,(H2,13,14);1H;1H2
2.1.3 InChI Key
SBTIBNSPYUUNGA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC2=C(C1)C(=C3CCCC3=N2)N.O.Cl
2.2 Other Identifiers
2.2.1 UNII
OV96AIK79Q
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 118499-70-0

2. Ipidacrine Hcl Hydrate

3. 2,3,5,6,7,8-hexahydro-1h-cyclopenta[b]quinolin-9-amine Hydrochloride Hydrate

4. Senita

5. Ipidacrine Hydrochloride Monohydrate

6. Nik-247

7. Ipidacrine Hydrochloride Hydrate [jan]

8. Ipidacrine Monohydrochloride Monohydrate

9. Ov96aik79q

10. Ncgc00167585-01

11. 2,3,5,6,7,8-hexahydro-1h-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride

12. 1h-cyclopenta(b)quinolin-9-amine, 2,3,5,6,7,8-hexahydro-, Hydrochloride, Hydrate (1:1:1)

13. 1h-cyclopenta(b)quinolin-9-amine, 2,3,5,6,7,8-hexahydro-, Monohydrochloride, Monohydrate

14. Dsstox_cid_26734

15. Dsstox_rid_81863

16. Dsstox_gsid_46734

17. Ipidacrine Hydrochloride Hydrate (jan)

18. Cas-118499-70-0

19. Unii-ov96aik79q

20. Schembl6633743

21. Chembl1898637

22. Dtxsid9046734

23. Tox21_112577

24. Mfcd00517543

25. Akos015911890

26. Tox21_112577_1

27. Ac-7050

28. 2,3,5,6,7,8-hexahydro-1h-cyclopenta[b]quinolin-9-amine Hydrochloride Hydrate (1:1:1)

29. Ncgc00263455-01

30. As-38638

31. D09750

32. Ipidacrine Hydrochloride Monohydrate [mi]

33. 499i700

34. A893144

35. Q27285863

36. F6170-0023

37. 2,3,5,6,7,8-hexahydro-1h-cyclopenta[b]quinolin-9-aminehydrochloridehydrate

38. 2,3,5,6,7,8-hexahydro-1h-cyclopenta(b)quinolin-9-ylamine, Hydrochloride Hydrate

39. 2,3,5,6,7,8-hexahydro-1h-cyclopenta[b]quinolin-9-amine Hydrochloride Hydrate (1

40. 9-amino-2,3,5,6,7,8-hexahydro-1h-cyclopenta[b]quinoline Hydrochloride Monohydrate; 2,3,5,6,7,8-hexahydro-1h-cyclopenta[b]quinolin-9-amine Hydrochloride Hydrate (1:1:1)

2.4 Create Date
2006-07-28
3 Chemical and Physical Properties
Molecular Weight 242.74 g/mol
Molecular Formula C12H19ClN2O
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass242.1185909 g/mol
Monoisotopic Mass242.1185909 g/mol
Topological Polar Surface Area39.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

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