Ipidacrine Hydrochloride Hydrate

Synopsis, 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

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 Formula	C₁₂H₁₉ClN₂O
Molecular Weight	242.74 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	242.1185909 g/mol
Monoisotopic Mass	242.1185909 g/mol
Topological Polar Surface Area	39.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	216
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	3