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Chemistry

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Also known as: 869477-96-3, Olodaterol hcl, Striverdi respimat, Bi 1744 cl, Bi-1744-cl, Bi 1744 hydrochloride
Molecular Formula
C21H27ClN2O5
Molecular Weight
422.9  g/mol
InChI Key
KCEHVJZZIGJAAW-FERBBOLQSA-N
FDA UNII
65R445W3V9

Olodaterol Hydrochloride
1 2D Structure

Olodaterol Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
2.1.2 InChI
InChI=1S/C21H26N2O5.ClH/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17;/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26);1H/t18-;/m0./s1
2.1.3 InChI Key
KCEHVJZZIGJAAW-FERBBOLQSA-N
2.1.4 Canonical SMILES
CC(C)(CC1=CC=C(C=C1)OC)NCC(C2=C3C(=CC(=C2)O)NC(=O)CO3)O.Cl
2.1.5 Isomeric SMILES
CC(C)(CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C(=CC(=C2)O)NC(=O)CO3)O.Cl
2.2 Other Identifiers
2.2.1 UNII
65R445W3V9
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 6-hydroxy-8-(1-hydroxy-2-((2-(4-methoxyphenyl)-1,1-dimethylethyl)amino)ethyl)-2h-1,4-benzoxazin-3(4h)-one

2. Bi 1744 Cl

3. Bi-1744 Cl

4. Olodaterol

5. Striverdi Respimat

2.3.2 Depositor-Supplied Synonyms

1. 869477-96-3

2. Olodaterol Hcl

3. Striverdi Respimat

4. Bi 1744 Cl

5. Bi-1744-cl

6. Bi 1744 Hydrochloride

7. Bi-1744 Cl

8. Olodaterol Hydrochloride [usan]

9. Chebi:83309

10. Olodaterol (hydrochloride)

11. 65r445w3v9

12. 2h-1,4-benzoxazin-3(4h)-one, 6-hydroxy-8-((1r)-1-hydroxy-2-((2-(4-methoxyphenyl)- 1,1-dimethylethyl)amino)ethyl)-, Hydrochloride (1:1)

13. 6-hydroxy-8-((1r)-1-hydroxy-2-((2-(4-methoxyphenyl)-1,1-dimethylethyl)amino)ethyl)- 2h-1,4-benzoxazin-3(4h)-one Hydrochloride

14. Striverdi Respimat (tn)

15. 6-hydroxy-8-[(1r)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4h-1,4-benzoxazin-3-one;hydrochloride

16. Unii-65r445w3v9

17. (r)-6-hydroxy-8-(1-hydroxy-2-((1-(4-methoxyphenyl)-2-methylpropan-2-yl)amino)ethyl)-2h-benzo[b][1,4]oxazin-3(4h)-one Hydrochloride

18. 869477-96-3 (hcl)

19. Schembl560669

20. Bi-1744 Hcl

21. Chembl2105743

22. Dtxsid901027733

23. Amy16778

24. Bcp16765

25. Ex-a2815

26. Olodaterol(bi-1744) Hydrochloride

27. Bdbm50538807

28. Hy-14301a

29. Olodaterol Hydrochloride (jan/usan)

30. Olodaterol Hydrochloride [mi]

31. S5925

32. Akos030524628

33. Olodaterol Hydrochloride [vandf]

34. Olodaterol Hydrochloride [who-dd]

35. Ac-29884

36. As-58291

37. Cs-0021887

38. Olodaterol Hydrochloride [orange Book]

39. D10020

40. A862976

41. Q27156746

42. 2h-1,4-benzoxazin-3(4h)-one, 6-hydroxy-8-[(1r)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]-, Hydrochloride (1:1)

43. 6-hydroxy-8-[(1r)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-2h-1,4-benzoxazin-3(4h)-one Hydrochloride

44. N-[(2r)-2-hydroxy-2-(6-hydroxy-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]-1-(4-methoxyphenyl)-2-methylpropan-2-aminium Chloride

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 422.9 g/mol
Molecular Formula C21H27ClN2O5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass422.1608497 g/mol
Monoisotopic Mass422.1608497 g/mol
Topological Polar Surface Area100 Ų
Heavy Atom Count29
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Indication

Treatment of cystic fibrosis


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Bronchodilator Agents

Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)


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