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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 6469-93-8, Minithixen, Truxal hydrochloride, Chlorprothixene hcl, Nsc 56379, Nsc 78193

Molecular Formula

C₁₈H₁₉Cl₂NS

Molecular Weight

352.3 g/mol

InChI Key

YWKRLOSRDGPEJR-KIUKIJHYSA-N

FDA UNII

268KCR965N

1 2D Structure

Chlorprothixene HCl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride

2.1.2 InChI

InChI=1S/C18H18ClNS.ClH/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;/h3-4,6-10,12H,5,11H2,1-2H3;1H/b14-7-;

2.1.3 InChI Key

YWKRLOSRDGPEJR-KIUKIJHYSA-N

2.1.4 Canonical SMILES

CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl

2.1.5 Isomeric SMILES

CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

268KCR965N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6469-93-8

2. Minithixen

3. Truxal Hydrochloride

4. Chlorprothixene Hcl

5. Nsc 56379

6. Nsc 78193

7. Nsc 169899

8. 268kcr965n

9. (3z)-3-(2-chlorothioxanthen-9-ylidene)-n,n-dimethylpropan-1-amine;hydrochloride

10. 2461-06-5

11. Cis-chlorprothixene Hydrochloride

12. 1-propanamine, 3-(2-chloro-9h-thioxanthen-9-ylidene)-n,n-dimethyl-,hydrochloride, (3z)-

13. Chlorprothixene (hydrochloride)

14. 2-chloro-9-(3-dimethylaminopropylidene)thioxanthene

15. 2-chloro-9-(3-dimethylaminopropylidene)thioxanthene Hydrochloride

16. Chlorprothixene Hydrochloride (jan)

17. Chlorprothixene Hydrochloride [jan]

18. Cis-2-chloro-9-(3-(dimethylamino)propylidene)thioxanthene, Hydrochloride

19. Trans-n714

20. (z)-chlorprothixene Hydrochloride

21. Einecs 229-289-3

22. Unii-268kcr965n

23. Trans-2-chloro-9-(3-(dimethylamino)propylidene)thioxanthene, Hydrochloride

24. (e)-chlorprothixene Hydrochloride

25. Trans-chlorprothixene Hydrochloride

26. Prestwick_754

27. Nsc 56378

28. Nsc 64084

29. Nsc 78192

30. Minithixen Hydrochloride

31. (z)-2-chloro-9-(3-dimethylaminopropylidene)thioxanthene Hydrochloride

32. Thioxanthene, 2-chloro-9-(3-(dimethylamino)propylidene)-, Hydrochloride, (z)-

33. 1-propanamine, 3-(2-chloro-9h-thioxanthen-9-ylidene)-n,n-dimethyl-, Hydrochloride, (z)-

34. Mls001076082

35. Schembl455758

36. Schembl455759

37. Chembl1256658

38. Hy-b0274a

39. Dtxsid701017267

40. Hms1569e17

41. 1229-38-5

42. (e)-2-chloro-9-(3-dimethylaminopropylidene)thioxanthene Hydrochloride

43. S5399

44. Akos024374911

45. Ccg-268050

46. 1-propanamine, 3-(2-chloro-9h-thioxanthen-9-ylidene)-n,n-dimethyl-, Hydrochloride, (e)-

47. Thioxanthene, 2-chloro-9-(3-(dimethylamino)propylidene)-, Hydrochloride, (e)-

48. Thioxanthene-delta9,gamma-propylamine, 2-chloro-n,n-dimethyl-, Hydrochloride, (e)-

49. Thioxanthene-delta9,gamma-propylamine, 2-chloro-n,n-dimethyl-, Hydrochloride, (z)-

50. As-75712

51. Chlorprothixene Hydrochloride [mi]

52. Smr000653468

53. (e/z)-chlorprothixene-[d6] Hydrochloride

54. Chlorprothixene Hydrochloride [mart.]

55. Cs-0030757

56. Chlorprothixene Hydrochloride [who-dd]

57. D02162

58. 469c938

59. Chlorprothixene Hydrochloride [ep Impurity]

60. Chlorprothixene Hydrochloride [ep Monograph]

61. Q27254072

62. Chlorprothixene Hydrochloride, European Pharmacopoeia (ep) Reference Standard

63. 1-propanamine, 3-(2-chloro-9h-thioxanthen-9-ylidene)-n,n-dimethyl-, Hydrochloride (1:1), (3z)-

2.4 Create Date

2005-10-11

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₉Cl₂NS
Molecular Weight	352.3 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	351.0615262 g/mol
Monoisotopic Mass	351.0615262 g/mol
Topological Polar Surface Area	28.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	381
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2