Levobetaxolol HCl

Synopsis, Chemistry

DOSSIERs // Finished Dosage Formulations

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Also known as: Levobetaxolol hcl, 116209-55-3, Betaxon, Levobetaxolol hydrochloride [usan], Levobetaxolol (hydrochloride), Al1577a

Molecular Formula

C₁₈H₃₀ClNO₃

Molecular Weight

343.9 g/mol

InChI Key

CHDPSNLJFOQTRK-LMOVPXPDSA-N

FDA UNII

8MR4W4O06J

Levobetaxolol Hydrochloride is the hydrochloride salt form of levobetaxolol, the S-isomer of the -selective beta-1 adrenergic receptor antagonist betaxolol with anti-glaucoma activity and devoid of intrinsic sympathomimetic activity. When applied topically in the eye, levobetaxolol reduces aqueous humor secretion and lowers the intraocular pressure (IOP).

1 2D Structure

Levobetaxolol HCl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

2.1.2 InChI

InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H/t17-;/m0./s1

2.1.3 InChI Key

CHDPSNLJFOQTRK-LMOVPXPDSA-N

2.1.4 Canonical SMILES

CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.Cl

2.1.5 Isomeric SMILES

CC(C)NC[C@@H](COC1=CC=C(C=C1)CCOCC2CC2)O.Cl

2.2 Other Identifiers

2.2.1 UNII

8MR4W4O06J

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Levobetaxolol Hcl

2. 116209-55-3

3. Betaxon

4. Levobetaxolol Hydrochloride [usan]

5. Levobetaxolol (hydrochloride)

6. Al1577a

7. Al-1577a

8. (s)-betaxolol Hydrochloride

9. 8mr4w4o06j

10. (-)-(s)-1-(p-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-(isopropylamino)-2-propanol Hydrochloride

11. (s)-1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-(isopropylamino)propan-2-ol Hydrochloride

12. 2-propanol, 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-[(1-methylethyl)amino]-, Hydrochloride (1:1), (2s)-

13. 116209-55-3 (hcl); 93221-48-8 (free Base)

14. Levobetaxolol Hydrochloride (usan)

15. Chebi:59256

16. (s)-betataxolol Hydrochloride

17. Al 1577a

18. (s)-betaxolol Hydrochloride;al-1577a

19. Unii-8mr4w4o06j

20. Betaxon (tn)

21. Schembl42795

22. Chembl1200837

23. Hy-b0381b

24. Dtxsid20151321

25. (2s)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride

26. Bcp12964

27. S4085

28. Akos030485957

29. Ccg-267959

30. Cs-5154

31. 2-propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-, Hydrochloride, (2s)-

32. 2-propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-, Hydrochloride, (s)-

33. As-74909

34. Levobetaxolol Hydrochloride [mart.]

35. Levobetaxolol Hydrochloride [who-dd]

36. Sw219529-1

37. C71529

38. D04710

39. Levobetaxolol Hydrochloride [orange Book]

40. 116209-55-3, 93221-48-8(free Base)

41. Q27126573

42. (2s)-1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol Hydrochloride

43. 2-propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-, (2s)-, Hydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₀ClNO₃
Molecular Weight	343.9 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	343.1914215 g/mol
Monoisotopic Mass	343.1914215 g/mol
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	286
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2