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Chemistry

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Also known as: 511-13-7, Clofedanol hydrochloride, Pectolitan, Coldrin, Ulone, Chlophedianol hcl

Molecular Formula

C₁₇H₂₁Cl₂NO

Molecular Weight

326.3 g/mol

InChI Key

XYGSFNHCFFAJPO-UHFFFAOYSA-N

FDA UNII

69QQ58998Y

1 2D Structure

Clofedanol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride

2.1.2 InChI

InChI=1S/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H

2.1.3 InChI Key

XYGSFNHCFFAJPO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O.Cl

2.2 Other Identifiers

2.2.1 UNII

69QQ58998Y

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-chloro-alpha-(2-dimethylaminoethyl)benzhydrol

2. Baltix

3. Chlophedianol

4. Chlophendianol Hydrochloride

5. Clofedanol

6. Clofedanol Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 511-13-7

2. Clofedanol Hydrochloride

3. Pectolitan

4. Coldrin

5. Ulone

6. Chlophedianol Hcl

7. Bayer-186

8. Sl 501

9. Chlophedianol Hydrochloride [usan]

10. Chlophedianol (hydrochloride)

11. Sk-74

12. 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride

13. Sl-501

14. 69qq58998y

15. Ulo

16. 511-13-7 (hcl)

17. 2-chloro-alpha-[2-dimethylaminoethyl]benzhydrol Hydrochloride

18. Detigon

19. Refugal

20. Detigon-bayer

21. Prontosed

22. Tigonal

23. Eutus

24. Chlophedianol Hydrochloride (usan)

25. Bayer B-186

26. Clophedianol Hydrochloride

27. Sk 74

28. Einecs 208-124-9

29. Clofedanol Hcl

30. Unii-69qq58998y

31. Coldrin (tn)

32. Clofedanolhydrochlorid

33. Alpha-(2-dimethylaminoethyl)-o-chlorobenzhydrol Hydrochloride

34. 2-chloro-alpha-(2-(dimethylamino)ethyl)benzhydrol Hydrochloride

35. 1-o-chlorophenyl-1-phenyl-3-dimethylamino-1-propanol Hydrochloride

36. Benzenemethanol, 2-chloro-alpha-(2-(dimethylamino)ethyl)-alpha-phenyl-, Hydrochloride

37. Schembl157943

38. Chembl1200972

39. Chebi:31392

40. Clofedanol Hydrochloride (jp17)

41. Hy-a0161a

42. Dtxsid30965375

43. 2-chloro-alpha-[2-dimethylaminoethyl]benzhydrolhydrochloride

44. Benzhydrol, 2-chloro-alpha-(2-(dimethylamino)ethyl)-, Hydrochloride

45. Clofedanol Hydrochloride [jan]

46. Chlophedianol Hydrochloride [mi]

47. Clofedanol Hydrochloride [mart.]

48. Clofedanol Hydrochloride [who-dd]

49. Cs-0030933

50. Ft-0665113

51. 11c137

52. D01389

53. Chlophedianol Hydrochloride [orange Book]

54. 511c137

55. Q27264375

56. 2-chloro-.alpha.-(2-(dimethylamino)ethyl)benzhydrol Hydrochloride

57. Benzenemethanol, 2-chloro-.alpha.-(2-(dimethylamino)ethyl)-.alpha.-phenyl-, Hydrochloride

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₁Cl₂NO
Molecular Weight	326.3 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	325.1000197 g/mol
Monoisotopic Mass	325.1000197 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	291
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2