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Chemistry

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Also known as: Tral, 115-63-9, Hexocyclium methylsulfate, Hexocyclium methyl sulfate, Traline, Hexocyclium methylsulphate
Molecular Formula
C21H36N2O5S
Molecular Weight
428.6  g/mol
InChI Key
NSILVESQCSUIAJ-UHFFFAOYSA-M
FDA UNII
84OPZ2Q0VB

Hexocyclium
1 2D Structure

Hexocyclium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol;methyl sulfate
2.1.2 InChI
InChI=1S/C20H33N2O.CH4O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
2.1.3 InChI Key
NSILVESQCSUIAJ-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
84OPZ2Q0VB
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Hexociclium

2. Hexocyclium

3. Hexocyclium Methylsulfate

2.3.2 Depositor-Supplied Synonyms

1. Tral

2. 115-63-9

3. Hexocyclium Methylsulfate

4. Hexocyclium Methyl Sulfate

5. Traline

6. Hexocyclium Methylsulphate

7. Hexacyclium Methyl Sulfate

8. Hexocyclium Methosulfate

9. Ab 803

10. Hexocyclium Metilsulfate [inn]

11. Hexocyclium Metilsulphate

12. Nsc-30256

13. 84opz2q0vb

14. 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethylpiperazinum Methylsulfate

15. Oxoamyl Salicylate

16. 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium Methyl Sulfate

17. Hexocyclium (van)

18. Hexocyclium Metilsulfate (inn)

19. 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazinium

20. 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol;hydrogen Sulfate

21. 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol;methyl Sulfate

22. Hexocyclii Metilsulfas

23. Hexocyclii Metilsulfas [inn-latin]

24. Metilsulfato De Hexociclo

25. Einecs 204-097-2

26. Metilsulfate D'hexocyclium

27. Nsc 30256

28. Unii-84opz2q0vb

29. Metilsulfate D'hexocyclium [inn-french]

30. Metilsulfato De Hexociclo [inn-spanish]

31. Hexocyclium (tral)

32. Hexocycliummetilsulfat

33. Hexocycliummetilsulfate

34. Tral (tn)

35. Ncgc00182972-01

36. Dsstox_cid_3123

37. 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethylpiperazinium Methylsulfate

38. Dsstox_rid_76883

39. N-(beta-cyclohexyl-beta-hydroxy-beta-phenylethyl)-n'-methylpiperazine Dimethylsulfate

40. Piperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl-, Methyl Sulfate (salt)

41. Dsstox_gsid_23123

42. Schembl25730

43. Chebi:5708

44. Chembl1626570

45. Dtxsid4023123

46. Nsc30256

47. Tox21_113224

48. Hexocyclium Methyl Sulfate [mi]

49. Hexocyclium Metilsulfate [mart.]

50. Piperazinium, 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethyl-, Methyl Sulfate

51. Hexocyclium Methylsulfate [vandf]

52. Hexocyclium Metilsulfate [who-dd]

53. Piperazinium,1-dimethyl-, Methyl Sulfate

54. Cas-115-63-9

55. D01003

56. Hexocyclium Methylsulfate [orange Book]

57. Piperazinium,1-dimethyl-, Methyl Sulfate (salt)

58. Q27269539

59. Wln: T6k Dntj A1 A1 Dxq1r&- Al6tj &wsqo1

60. 4-(.beta.-cyclohexyl-.beta.-hydroxyphenethyl)-1,1-dimethylpiperazinium Methyl Sulfate

61. 4-(.beta.-cyclohexyl-.beta.-hydroxyphenethyl)-1,1-dimethylpiperazinum Methylsulfate

62. 4-(.beta.-cyclohexyl-.beta.-hydroxyphenethyl)-1,1-dimethylpiperazinum Methylsulphate

63. N-(beta-cyclohexyl-beta-hydroxy-beta-phenyl-ethyl)-n'-methylpiperazine Methosulfate

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 428.6 g/mol
Molecular Formula C21H36N2O5S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass428.23449343 g/mol
Monoisotopic Mass428.23449343 g/mol
Topological Polar Surface Area98.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

ABOUT THIS PAGE

Looking for 115-63-9 / Hexocyclium API manufacturers, exporters & distributors?

Hexocyclium manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Hexocyclium API manufacturers, exporters & distributors, which can be sorted by GMP, USDMF, JDMF, KDMF, CEP (COS), WC, Price,and more, enabling you to easily find the right Hexocyclium manufacturer or Hexocyclium supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Hexocyclium manufacturer or Hexocyclium supplier.

PharmaCompass also assists you with knowing the Hexocyclium API Price utilized in the formulation of products. Hexocyclium API Price is not always fixed or binding as the Hexocyclium Price is obtained through a variety of data sources. The Hexocyclium Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Hexocyclium

Synonyms

Tral, 115-63-9, Hexocyclium methylsulfate, Hexocyclium methyl sulfate, Traline, Hexocyclium methylsulphate

Cas Number

115-63-9

Unique Ingredient Identifier (UNII)

84OPZ2Q0VB

DSSTox_CID_3123 Manufacturers

A DSSTox_CID_3123 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of DSSTox_CID_3123, including repackagers and relabelers. The FDA regulates DSSTox_CID_3123 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. DSSTox_CID_3123 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

DSSTox_CID_3123 Suppliers

A DSSTox_CID_3123 supplier is an individual or a company that provides DSSTox_CID_3123 active pharmaceutical ingredient (API) or DSSTox_CID_3123 finished formulations upon request. The DSSTox_CID_3123 suppliers may include DSSTox_CID_3123 API manufacturers, exporters, distributors and traders.

DSSTox_CID_3123 GMP

DSSTox_CID_3123 Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of DSSTox_CID_3123 GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right DSSTox_CID_3123 GMP manufacturer or DSSTox_CID_3123 GMP API supplier for your needs.

DSSTox_CID_3123 CoA

A DSSTox_CID_3123 CoA (Certificate of Analysis) is a formal document that attests to DSSTox_CID_3123's compliance with DSSTox_CID_3123 specifications and serves as a tool for batch-level quality control.

DSSTox_CID_3123 CoA mostly includes findings from lab analyses of a specific batch. For each DSSTox_CID_3123 CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

DSSTox_CID_3123 may be tested according to a variety of international standards, such as European Pharmacopoeia (DSSTox_CID_3123 EP), DSSTox_CID_3123 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (DSSTox_CID_3123 USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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