Landiolol Hydrochloride

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Also known as: 144481-98-1, Landiolol hcl, Ono 1101 hydrochloride, Ono-1101 hydrochloride, Landiolol related impurity 4, ((s)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-((s)-2-hydroxy-3-((2-(morpholine-4-carboxamido)ethyl)amino)propoxy)phenyl)propanoate hydrochloride

Molecular Formula

C₂₅H₄₀ClN₃O₈

Molecular Weight

546.1 g/mol

InChI Key

DLPGJHSONYLBKP-IKGOIYPNSA-N

FDA UNII

G8HQ634Y17

1 2D Structure

Landiolol Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate;hydrochloride

2.1.2 InChI

InChI=1S/C25H39N3O8.ClH/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28;/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31);1H/t20-,22+;/m0./s1

2.1.3 InChI Key

DLPGJHSONYLBKP-IKGOIYPNSA-N

2.1.4 Canonical SMILES

CC1(OCC(O1)COC(=O)CCC2=CC=C(C=C2)OCC(CNCCNC(=O)N3CCOCC3)O)C.Cl

2.1.5 Isomeric SMILES

CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C.Cl

2.2 Other Identifiers

2.2.1 UNII

G8HQ634Y17

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 144481-98-1

2. Landiolol Hcl

3. Ono 1101 Hydrochloride

4. Ono-1101 Hydrochloride

5. Landiolol Related Impurity 4

6. ((s)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-((s)-2-hydroxy-3-((2-(morpholine-4-carboxamido)ethyl)amino)propoxy)phenyl)propanoate Hydrochloride

7. G8hq634y17

8. Ldll600

9. Landiolol (hydrochloride)

10. Dsstox_cid_28531

11. Dsstox_rid_82803

12. Dsstox_gsid_48605

13. [(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2s)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate;hydrochloride

14. Landiolol Hydrochloride (jan)

15. Landiolol Hydrochloride [jan]

16. ((s)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-((s)-2-hydroxy-3-((2-(morpholine-4-carboxamido)ethyl)amino)propoxy)phenyl)propanoate Hcl

17. Cas-144481-98-1

18. Ncgc00182709-01

19. Ncgc00182709-02

20. Onoact

21. Unii-g8hq634y17

22. Onoact (tn)

23. Landiolol Hydrochloride [usan]

24. Chembl2362410

25. Dtxsid3048605

26. Chebi:31760

27. Landiolol Hydrochloride [mi]

28. Tox21_112940

29. Tox21_113021

30. Mfcd01937430

31. S5540

32. Akos025311253

33. Tox21_113021_1

34. Ccg-269982

35. Hy-100607a

36. Landiolol Hydrochloride [mart.]

37. Landiolol Hydrochloride [who-dd]

38. Ncgc00182709-03

39. Ac-22604

40. As-17684

41. Benzenepropanoic Acid, 4-(2-hydroxy-3-((2-((4-morpholinylcarbonyl)amino)ethyl)amino)propoxy)-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl Ester, (s-(r*,r*))-, Hydrochloride

42. Landiolol Hydrochloride, >=98% (hplc)

43. Cs-0019761

44. L0296

45. D01847

46. A808219

47. Q27278937

48. 4-((s)-2-hydroxy-3-((2-((morpholinocarbonyl)amino)ethyl)amino)propoxy)benzenepropanoic Acid ((s)-2,2-dimethyl-1,3-dioxolane-4alpha-yl)methyl Hydrochloric Acid

49. Benzenepropanoic Acid, 4-[(2s)-2-hydroxy-3-[[2-[(4-morpholinylcarbonyl)amino]ethyl]amino]propoxy]-, [(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl Ester, Hydrochloride (1:1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₄₀ClN₃O₈
Molecular Weight	546.1 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	14
Exact Mass	545.2503929 g/mol
Monoisotopic Mass	545.2503929 g/mol
Topological Polar Surface Area	128 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	666
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2