Methixene

Synopsis, Chemistry

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Also known as: 7081-40-5, 3-((9h-thioxanthen-9-yl)methyl)-1-methylpiperidine hydrochloride hydrate, Methixene hcl, Metixene hydrochloride hydrate, Methixene hydrochloride hydrete, Methixene hydrochloride [usan]

Molecular Formula

C₂₀H₂₆ClNOS

Molecular Weight

363.9 g/mol

InChI Key

RAOHHYUBMJLHNC-UHFFFAOYSA-N

FDA UNII

84L8XK6N1G

1 2D Structure

Methixene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;hydrate;hydrochloride

2.1.2 InChI

InChI=1S/C20H23NS.ClH.H2O/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H;1H2

2.1.3 InChI Key

RAOHHYUBMJLHNC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24.O.Cl

2.2 Other Identifiers

2.2.1 UNII

84L8XK6N1G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-methyl-3-(thioxanthen-9-ylmethyl)- Piperidine Hydrochloride

2. Methixene

3. Methixene Hydrochloride, Monohydrate

4. Metixene

5. Tremarit

2.3.2 Depositor-Supplied Synonyms

1. 7081-40-5

2. 3-((9h-thioxanthen-9-yl)methyl)-1-methylpiperidine Hydrochloride Hydrate

3. Methixene Hcl

4. Metixene Hydrochloride Hydrate

5. Methixene Hydrochloride Hydrete

6. Methixene Hydrochloride [usan]

7. Sj 1977

8. Methixene Hydrochloride Hydrate

9. Metixene Hydrochloride Monohydrate

10. Methixene Hydrochloride Monohydrate

11. 1-methyl-3-(9h-thioxanthen-9-ylmethyl)piperidine;hydrate;hydrochloride

12. 84l8xk6n1g

13. 1-methyl-3-(thioxanthen-9-ylmethyl)piperidine Hydrochloride Monohydrate

14. Piperidine, 1-methyl-3-(9h-thioxanthen-9-ylmethyl)-, Hydrochloride, Monohydrate

15. Nsc-78194

16. Sj-1977

17. Nsc 78194

18. Metixene Hydrochloride (jan)

19. Methixene Hydrochloride (usan)

20. Metixene Hydrochloride [jan]

21. Mls002153842

22. Anhydrous Metixene Hydrochloride

23. Metixene Hydrochloride Anhydrous

24. Chebi:51025

25. Smr001233205

26. Unii-84l8xk6n1g

27. Trest (tn)

28. Schembl121381

29. Chembl1200426

30. Dtxsid00991080

31. Mfcd00941488

32. Akos015855384

33. Metixene Hydrochloride [mart.]

34. Hy-120081a

35. Bs-29371

36. Metixene Hydrochloride [ep Impurity]

37. Cs-0085190

38. Ft-0657024

39. Methixene Hydrochloride [orange Book]

40. Metixene Hydrochloride [ep Monograph]

41. C76260

42. D01871

43. 081m405

44. A837000

45. Q27887706

46. 3-((9h-thioxanthen-9-yl)methyl)-1-methylpiperidine Hcl Hydrate

47. 3-((9h-thioxanthen-9-yl)methyl)-1-methylpiperidinehydrochloridehydrate

48. 1-methyl-3-[(9h-thioxanthen-9-yl)methyl]piperidine--hydrogen Chloride--water (1/1/1)

49. 3-hydroxy-2-(4-methoxyphenyl)chromen-4-one;3-((9h-thioxanthen-9-yl)methyl)-1-methylpiperidine Hydrochloride Hydrate

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₆ClNOS
Molecular Weight	363.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	363.1423633 g/mol
Monoisotopic Mass	363.1423633 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	349
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	3