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Chemistry

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Also known as: Palison, 136-69-6, Protokylol hcl, Caytine hydrochloride, Nsc-113490, 7u7o8q48io
Molecular Formula
C18H22ClNO5
Molecular Weight
367.8  g/mol
InChI Key
LOVXREQUMZKFCM-UHFFFAOYSA-N
FDA UNII
7U7O8Q48IO

Protokylol
Protokylol Hydrochloride is the hydrochloride salt form of protokylol, a derivative of the beta-adrenergic receptor agonist isoproterenol with bronchodilator activity. Protokylol binds to beta-2 adrenergic receptors in bronchial smooth muscle, thereby activating intracellular adenyl cyclase, an enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic-3',5'-adenosine monophosphate (cAMP). Increased cAMP levels cause relaxation of bronchial smooth muscle, relieve bronchospasms, improve mucociliary clearance and inhibit the release of mediators of immediate hypersensitivity from cells, especially from mast cells.
1 2D Structure

Protokylol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol;hydrochloride
2.1.2 InChI
InChI=1S/C18H21NO5.ClH/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13;/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3;1H
2.1.3 InChI Key
LOVXREQUMZKFCM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)O)O.Cl
2.2 Other Identifiers
2.2.1 UNII
7U7O8Q48IO
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Alpha-(alpha-methyl-3,4-methylenedioxyphenethylamino)methyl Protocatechuyl Alcohol

2. Caytine

3. Protokylol

2.3.2 Depositor-Supplied Synonyms

1. Palison

2. 136-69-6

3. Protokylol Hcl

4. Caytine Hydrochloride

5. Nsc-113490

6. 7u7o8q48io

7. Caytine Hydrochloride; Nsc 113490

8. Asmetil

9. Biturix

10. Beres

11. Atma-sanol

12. 4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol;hydrochloride

13. Einecs 205-254-8

14. Nsc 113490

15. Unii-7u7o8q48io

16. Protokylolhydrochlorid

17. Protoklol Hydrochloride

18. 4-(2-{[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino}-1-hydroxyethyl)-1,2-benzenediol Hydrochloride

19. 1,2-benzenediol, 4-(2-((2-(1,3-benzodioxol-5-yl)-1-methylethyl)amino)-1-hydroxyethyl)-, Hcl

20. 4-(2-((2-(1,3-benzodioxol-5-yl)-1-methylethyl)amino)-1-hydroxyethyl)-1,2-benzenediol Hcl

21. 1,2-benzenediol, 4-(2-((2-(1,3-benzodioxol-5-yl)-1-methylethyl)amino)-1-hydroxyethyl)-, Hydrochloride

22. Schembl210099

23. Chembl1200893

24. Dtxsid30929210

25. Nsc113490

26. Protokylol Hydrochloride [mi]

27. Protokylol Hydrochloride [mart.]

28. Protokylol Hydrochloride [who-dd]

29. Alpha-(((alpha-methyl-3,4-methylenedioxyphenethyl)amino)methyl)protocatechuyl Alcohol, Hydrochloride

30. Benzyl Alcohol, 3,4-dihydroxy-alpha-(((alpha-methyl-3,4-(methylenedioxy)phenethyl)amino)methyl)-, Hydrochloride

31. Ft-0674124

32. Protokylol Hydrochloride [green Book]

33. Protokylol Hydrochloride [orange Book]

34. Q27268861

35. Wln: T56 Bo Do Chj G1y1 & M1yqr Cq Dq & Gh

36. 1, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-, Hydrochloride

37. .alpha.-(((.alpha.-methyl-3,4-methylenedioxyphenethyl)amino)methyl)protocatechuyl Alcohol, Hydrochloride

38. 4-(2-{[1-(2h-1,3-benzodioxol-5-yl)propan-2-yl]amino}-1-hydroxyethyl)benzene-1,2-diol--hydrogen Chloride (1/1)

39. Benzyl Alcohol,4-dihydroxy-.alpha.-[[[.alpha.-methyl-3,4-(methylenedioxy)phenethyl]amino]methyl]-, Hydrochloride

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 367.8 g/mol
Molecular Formula C18H22ClNO5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass367.1186505 g/mol
Monoisotopic Mass367.1186505 g/mol
Topological Polar Surface Area91.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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