Also known as: 10605-02-4, Palmatine hydrochloride, Palmatine (chloride), Fibrauretin, 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium chloride, Zj6w8881z8

Molecular Formula

C₂₁H₂₂ClNO₄

Molecular Weight

387.9 g/mol

InChI Key

RLQYRXCUPVKSAW-UHFFFAOYSA-M

FDA UNII

ZJ6W8881Z8

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride

2.1.2 InChI

InChI=1S/C21H22NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,9-12H,7-8H2,1-4H3;1H/q+1;/p-1

2.1.3 InChI Key

RLQYRXCUPVKSAW-UHFFFAOYSA-M

2.1.4 Canonical SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC.[Cl-]

2.2 Other Identifiers

2.2.1 UNII

ZJ6W8881Z8

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Berbericinine

2. Berbinium, 7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy-, Chloride

3. Berbinium, 7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy-, Iodide

4. Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, Chloride (1:1)

5. Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, Hydroxide (1:1)

6. O,o-dimethyldemethyleneberberine

7. Palmatine

8. Palmatine Cation

9. Palmatine Hydrochloride

10. Palmatine Hydroxide

11. Palmatine Iodide

12. Palmatine Ion

13. Palmatine Sulfate

14. Palmatinium Hydroxide

15. Palmitine Hydroxide

2.3.2 Depositor-Supplied Synonyms

1. 10605-02-4

2. Palmatine Hydrochloride

3. Palmatine (chloride)

4. Fibrauretin

5. 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium Chloride

6. Zj6w8881z8

7. 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium Chloride

8. Mfcd00016656

9. Nsc209407

10. Nsc-209407

11. 5,6-dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium Chloride

12. Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, Chloride

13. Chembl274189

14. 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride

15. Unii-zj6w8881z8

16. Sr-01000841226

17. Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, Chloride

18. Prestwick_374

19. Nsc 209407

20. Palmatine Hydrochloride,(s)

21. Mls002153886

22. Schembl754702

23. Spectrum1500872

24. Dtxsid40909881

25. Hms1569d20

26. Hms1921m10

27. Hms2096d20

28. Hms2234k10

29. Hms3374o05

30. Hms3651d03

31. Hms3884p15

32. Bcp02274

33. Hy-n0110

34. Palmatine Chloride [usp-rs]

35. Palmatine Chloride [who-dd]

36. Ac-678

37. Ccg-38528

38. S2397

39. Palmatine Chloride, >=98% (hplc)

40. Akos015903832

41. Bcp9001048

42. Cs-5237

43. Ncgc00094871-01

44. Ncgc00094871-02

45. As-72876

46. Smr001233237

47. Ft-0689390

48. N1760

49. P2138

50. Sw196633-2

51. Q-100041

52. Sr-01000841226-4

53. Q27295608

54. Berbinium, 7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy-, Chloride

55. 3,4,10,11-tetramethoxy-7,8-dihydro-6??-azatetraphen-6-ylium Chloride

56. Dibenzo(a,g)quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-, Chloride (1:1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₂ClNO₄
Molecular Weight	387.9 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	387.1237359 g/mol
Monoisotopic Mass	387.1237359 g/mol
Topological Polar Surface Area	40.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	475
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Palmatine Chloride

Palmatine Chloride

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