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Chemistry

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Also known as: 1225-60-1, Andantol, Theruhistin, Adantol, Isothipendyl hcl, Isothipendyl monohydrochloride

Molecular Formula

C₁₆H₂₀ClN₃S

Molecular Weight

321.9 g/mol

InChI Key

RQHCFTORMXCNGP-UHFFFAOYSA-N

FDA UNII

953AP1LBV8

1 2D Structure

Isothipendyl Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine;hydrochloride

2.1.2 InChI

InChI=1S/C16H19N3S.ClH/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19;/h4-10,12H,11H2,1-3H3;1H

2.1.3 InChI Key

RQHCFTORMXCNGP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)N(C)C.Cl

2.2 Other Identifiers

2.2.1 UNII

953AP1LBV8

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 10-(2-dimethylamino-2-methylethyl)-10h-pyrido(3,2- B)(1,4)benzothiazine

2. Andantol

3. Andanton

4. Estamyl

5. Isothipendyl

6. Sedermyl

2.3.2 Depositor-Supplied Synonyms

1. 1225-60-1

2. Andantol

3. Theruhistin

4. Adantol

5. Isothipendyl Hcl

6. Isothipendyl Monohydrochloride

7. Isothipendyl Hydrochloride [jan]

8. Andanton

9. Nilergex

10. Nsc 169186

11. Nsc-169186

12. Isothipendyl (hydrochloride)

13. 10-(2-dimethylaminopropyl)-10h-pyrido(3,2-b)(1,4)benzothiazine Hydrochloride

14. 953ap1lbv8

15. N-dimethylaminoisopropylthiophenylpyridylamine Hydrochloride

16. 34433-15-3

17. Nsc169186

18. (+/-)-isothipendyl Hydrochloride

19. 10h-pyrido(3,2-b)(1,4)benzothiazine-10-ethanamine, N,n,2-trimethyl-, Monohydrochloride

20. N,n-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine;hydrochloride

21. Adanton Hydrochloride

22. Udantol Hydrochloride

23. Nilergex Hydrochloride

24. Isothipendyl Hydrochloride (jan)

25. Theruhistin Hydrochloride

26. Einecs 214-957-9

27. Unii-953ap1lbv8

28. Andantol (tn)

29. Einecs 252-022-7

30. 10-(2-dimethylaminopropyl)-1-azaphenothiazine Hydrochloride

31. Dimethylamino-isopropyl-thiophenyl-pyridylamin Hydrochlorid [german]

32. Ncgc00181101-01

33. 10-(2-dimethylaminopropyl)-(1)-4-azaphenthiazin Hydrochlorid [german]

34. 10-(2-dimethylaminopropyl)-9-thia-1,10-diazaanthracene Hydrochloride

35. 10-(2-dimethylamino-2-methylethyl)-10h-pyrido(3,2-b)(1,4)benzothiazine Hydrochloride

36. 10h-pyrido(3,2-b)(1,4)benzothiazine, 10-(2-(dimethylamino)propyl)-, Monohydrochloride

37. Dsstox_cid_26845

38. Dsstox_rid_81955

39. Dsstox_gsid_46845

40. Schembl230214

41. Chembl2107246

42. Dtxsid1046845

43. Chebi:31734

44. Dimethylamino-isopropyl-thiophenyl-pyridylamin Hydrochlorid

45. 10-(2-dimethylaminopropyl)-(1)-4-azaphenthiazin Hydrochlorid

46. Tox21_112717

47. Isothipendyl Hydrochloride [mi]

48. 10-(2-(dimethylamino)propyl)-10h-pyrido(3,2-b)(1,4)benzothiazine Hydrochloride

49. 10h-pyrido(3,2-b)(1,4)benzothiazine, 10-(2-dimethylamino-2-methylethyl)-, Hydrochloride

50. Isothipendyl Hydrochloride [mart.]

51. Cas-1225-60-1

52. Isothipendyl Hydrochloride [who-dd]

53. Ft-0700699

54. Isothipendyl Hydrochloride, (+/-)-

55. D01143

56. Q27271733

57. 10h-pyrido[3,4]benzothiazine, 10-(2-dimethylamino-2-methylethyl)-, Hydrochloride

58. 10h-pyrido[3,4]benzothiazine, 10-[2-(dimethylamino)propyl]-, Monohydrochloride

59. 10h-pyrido[3,4]benzothiazine-10-ethanamine, N,n,2-trimethyl-, Monohydrochloride

60. N,n,alpha-trimethyl-10h-pyrido[3,2-b][1,4]benzothiazine-10-ethanamine Hydrochloride

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₀ClN₃S
Molecular Weight	321.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	321.1066465 g/mol
Monoisotopic Mass	321.1066465 g/mol
Topological Polar Surface Area	44.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	323
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Histamine Antagonists

Drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Classical antihistaminics block the histamine H1 receptors only. (See all compounds classified as Histamine Antagonists.)

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