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Buphenine Hydrochloride

Buphenine hydrochloride

Synopsis, Chemistry

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Also known as: 849-55-8, Buphenine hydrochloride, Nylidrin (hydrochloride), Nylidrin hcl, Arlibide, Arlidin

Molecular Formula

C₁₉H₂₆ClNO₂

Molecular Weight

335.9 g/mol

InChI Key

CLJHABUMMDMAFA-UHFFFAOYSA-N

FDA UNII

EC69E3PW7E

A beta-adrenergic agonist. Nylidrin causes peripheral vasodilation, a positive inotropic effect, and increased gastric volume of gastric juice. It is used in the treatment of peripheral vascular disorders and premature labor.

1 2D Structure

Buphenine hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol;hydrochloride

2.1.2 InChI

InChI=1S/C19H25NO2.ClH/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17;/h3-7,10-15,19-22H,8-9H2,1-2H3;1H

2.1.3 InChI Key

CLJHABUMMDMAFA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl

2.2 Other Identifiers

2.2.1 UNII

EC69E3PW7E

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Arlidin

2. Bufenine

3. Buphenin

4. Buphenine

5. Dilatol

6. Hydrochloride, Nylidrin

7. Nylidrin

2.3.2 Depositor-Supplied Synonyms

1. 849-55-8

2. Buphenine Hydrochloride

3. Nylidrin (hydrochloride)

4. Nylidrin Hcl

5. Arlibide

6. Arlidin

7. Buphedrin

8. Dilatol

9. Vasiten

10. Buphenin Hydrochloride

11. Nsc-142004

12. Mls000069387

13. Dilatyl

14. Suprifen Psb Hydrochloride

15. 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol;hydrochloride

16. Smr000058488

17. Nylidrin Hydrochloride (jan)

18. Ec69e3pw7e

19. Nylidrin Hydrochloride [jan]

20. Sr-01000002981

21. Buphenine Hcl

22. P-hydroxy-.alpha.-[1-[(1-methyl-3-phenylpropyl)amino]ethyl]benzyl Alcohol Hydrochloride

23. P-hydroxy-.alpha.-(1-((1-methyl-3-phenylpropyl)amino)ethyl)benzyl Alcohol Hydrochloride

24. Arlidin (tn)

25. Nylidrine Hydrochloride

26. Opera_id_1722

27. Mls001076116

28. Schembl364078

29. Spectrum1500445

30. Chembl1204337

31. Chebi:31925

32. Dtxsid20957360

33. Hms1920d06

34. Pharmakon1600-01500445

35. Nylidrin Hydrochloride [mi]

36. Amy23363

37. Hy-b1404

38. Tox21_500911

39. Ccg-40183

40. Mfcd00035085

41. Nsc142004

42. Nsc757252

43. S5267

44. Nylidrin Hydrochloride [vandf]

45. Wln: Qr Dyqy1&my1&2r &gh

46. Akos030242878

47. Buphenine Hydrochloride [mart.]

48. Cs-4980

49. Lp00911

50. Nsc-757252

51. Buphenine Hydrochloride [who-dd]

52. Ncgc00094222-01

53. Ncgc00094222-02

54. Ncgc00094222-03

55. Ncgc00094222-04

56. Ncgc00261596-01

57. As-19644

58. Eu-0100911

59. Ft-0757340

60. N-153

61. D01543

62. A923155

63. Q9668243

64. Sr-01000002981-2

65. 4-(1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl)phenol Hydrochloride

66. 1-p-hydroxyphenyl-2-[(1'-methyl-3'-phenylpropyl)amino]-1-propanol Hydrochloride

67. 4-{1-hydroxy-2-[(4-phenyl-2-butanyl)amino]propyl}phenol Hydrochloride (1:1)

68. 900-01-6

69. Benzenemethanol, 4-hydroxy-.alpha.-(1-((1-methyl-3-phenylpropyl)amino)ethyl)-, Hydrochloride

2.4 Create Date

2006-03-07

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₆ClNO₂
Molecular Weight	335.9 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	335.1652068 g/mol
Monoisotopic Mass	335.1652068 g/mol
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	296
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Sympathomimetics

Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. (See all compounds classified as Sympathomimetics.)

Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

Adrenergic beta-Agonists

Drugs that selectively bind to and activate beta-adrenergic receptors. (See all compounds classified as Adrenergic beta-Agonists.)

Tocolytic Agents

Drugs that prevent preterm labor and immature birth by suppressing uterine contractions (TOCOLYSIS). Agents used to delay premature uterine activity include magnesium sulfate, beta-mimetics, oxytocin antagonists, calcium channel inhibitors, and adrenergic beta-receptor agonists. The use of intravenous alcohol as a tocolytic is now obsolete. (See all compounds classified as Tocolytic Agents.)