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2D Structure
Also known as: 1218-35-5, Xylometazoline hcl, Xylometazoline (hydrochloride), 2-(4-tert-butyl-2,6-dimethylbenzyl)-2-imidazoline hydrochloride, Neo-synephrine ii, Otrivin hydrochloride
Molecular Formula
C16H25ClN2
Molecular Weight
280.83  g/mol
InChI Key
YGWFCQYETHJKNX-UHFFFAOYSA-N
FDA UNII
X5S84033NZ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
2.1.2 InChI
InChI=1S/C16H24N2.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15;/h8-9H,6-7,10H2,1-5H3,(H,17,18);1H
2.1.3 InChI Key
YGWFCQYETHJKNX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl
2.2 Other Identifiers
2.2.1 UNII
X5S84033NZ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-(4'-tert-butyl-2',6'-dimethylphenylmethyl)imidazoline

2. Amidrin

3. Balkis

4. Chlorohist-la

5. Decongest

6. Espa-rhin

7. Gelonasal

8. Idasal

9. Idril N

10. Imidin

11. Nasan

12. Nasengel Al

13. Nasengel Ratiopharm

14. Nasenspray Al

15. Nasenspray Ratiopharm

16. Nasentropfen Al

17. Nasentropfen Ratiopharm

18. Novorin

19. Otradrops

20. Otraspray

21. Otriven

22. Otrivin

23. Otrivin Mentol

24. Rapako

25. Schnupfen Endrine

26. Snup

27. Stas

28. Xylometazoline

29. Xylometazoline Monohydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 1218-35-5

2. Xylometazoline Hcl

3. Xylometazoline (hydrochloride)

4. 2-(4-tert-butyl-2,6-dimethylbenzyl)-2-imidazoline Hydrochloride

5. Neo-synephrine Ii

6. Otrivin Hydrochloride

7. Nsc-757378

8. Mls000069695

9. Smr000058526

10. 2-(4-(tert-butyl)-2,6-dimethylbenzyl)-4,5-dihydro-1h-imidazole Hydrochloride

11. Dsstox_cid_25223

12. Dsstox_rid_80760

13. Dsstox_gsid_45223

14. 1h-imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-, Hydrochloride (1:1)

15. 2-(4-tert-butyl-2,6-dimethylbenzyl)-4,5-dihydro-1h-imidazole Hydrochloride

16. X5s84033nz

17. Xylometazoline Hydrochloride (usp)

18. 2-(4-tert-butyl-2,6-dimethylbenzyl)-2-imidazoline Monohydrochloride

19. 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1h-imidazole;hydrochloride

20. Sr-01000000230

21. Ncgc00016101-02

22. Cas-1218-35-5

23. Mfcd00238707

24. Prestwick_574

25. Opera_id_1744

26. Neo-synephrine Ii (tn)

27. Schembl41837

28. Mls001076518

29. Spectrum1500614

30. Chembl1256400

31. Dtxsid3045223

32. Regid_for_cid_5282386

33. Hms1568n07

34. Hms1921k09

35. Pharmakon1600-01500614

36. Xylometazoline Hydrochloride ,(s)

37. Bcp22148

38. Hy-b0475

39. Tox21_110305

40. Tox21_501269

41. Ccg-39900

42. Nsc757378

43. S2576

44. Akos015895456

45. Tox21_110305_1

46. Ac-8301

47. Ks-5144

48. Lp01269

49. Ncgc00016101-10

50. Ncgc00094506-01

51. Ncgc00094506-02

52. Ncgc00094506-03

53. Ncgc00094506-04

54. Ncgc00094506-05

55. Ncgc00261954-01

56. Xylometazoline Hydrochloride [mi]

57. Xylometazoline Hydrochloride [mart.]

58. Xylometazoline Hydrochloride [vandf]

59. Eu-0101269

60. Ft-0603554

61. Sw196748-3

62. X0063

63. Xylometazoline Hydrochloride [usp-rs]

64. Xylometazoline Hydrochloride [who-dd]

65. D00757

66. X 6000

67. Xylometazoline Hydrochloride, Analytical Standard

68. 218x355

69. A804796

70. Xylometazoline Hydrochloride [ep Monograph]

71. J-004686

72. Sr-01000000230-2

73. Sr-01000000230-7

74. Xylometazoline Hydrochloride [usp Monograph]

75. Q27293585

76. Xylometazoline Hydrochloride, British Pharmacopoeia (bp) Reference Standard

77. Xylometazoline Hydrochloride, European Pharmacopoeia (ep) Reference Standard

78. Xylometazoline Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material

79. Xylometazoline Hydrochloride, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-10-11
3 Chemical and Physical Properties
Molecular Weight 280.83 g/mol
Molecular Formula C16H25ClN2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass280.1706265 g/mol
Monoisotopic Mass280.1706265 g/mol
Topological Polar Surface Area24.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Nasal Decongestants

Drugs designed to treat inflammation of the nasal passages, generally the result of an infection (more often than not the common cold) or an allergy related condition, e.g., hay fever. The inflammation involves swelling of the mucous membrane that lines the nasal passages and results in inordinate mucus production. The primary class of nasal decongestants are vasoconstrictor agents. (From PharmAssist, The Family Guide to Health and Medicine, 1993) (See all compounds classified as Nasal Decongestants.)