Also known as: 6020-18-4, Coptisine, chloride, Coptisine (chloride), Coptisine hydrochloride, Coptisin chloride, Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-, chloride

Molecular Formula

C₁₉H₁₄ClNO₄

Molecular Weight

355.8 g/mol

InChI Key

LUXPUVKJHVUJAV-UHFFFAOYSA-M

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene;chloride

2.1.2 InChI

InChI=1S/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1

2.1.3 InChI Key

LUXPUVKJHVUJAV-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6.[Cl-]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 7,8,13,13a-tetradehydro-2,3-9,10-bis(methylenedioxy)berbinium

2. Coptisine

2.2.2 Depositor-Supplied Synonyms

1. 6020-18-4

2. Coptisine, Chloride

3. Coptisine (chloride)

4. Coptisine Hydrochloride

5. Coptisin Chloride

6. Bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium, 6,7-dihydro-, Chloride

7. 6020-18-4 (chloride)

8. Nsc-119754

9. Q-100696

10. 6,7-dihydro-[1,3]dioxolo[4',5':7,8]isoquinolino[3,2-a][1,3]dioxolo[4,5-g]isoquinolin-5-ium Chloride

11. Coptisine-chloride

12. Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-, Chloride

13. Nsc 119754

14. Unii-4rsb8uy88e

15. 4rsb8uy88e

16. Schembl154528

17. Chembl498722

18. Coptisine Chloride, Hplc Grade

19. Dtxsid00975628

20. Bcp25760

21. Ex-a4900

22. Hy-n0736

23. Mfcd00016676

24. Nsc119754

25. Akos015903376

26. Berbinium, 7,8,13,13a-tetradehydro-2,3:9,10-bis(methylenedioxy)-, Chloride

27. Coptisine Chloride, >=98% (hplc)

28. Ccg-268102

29. Coptisine Chloride, Analytical Standard

30. Cs-4825

31. Ac-34919

32. Bis(methylenedioxy)protoberberine Chloride

33. Bs-17288

34. Ft-0665166

35. N1701

36. A14541

37. Bis[1,6-a:4',5'-g]quinolizinium, 6,7-dihydro-, Chloride

38. 6,7-dihydro-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizinium Chloride

39. Berbinium,8,13,13a-tetradehydro-2,3:9,10-bis(methylenedioxy)-, Chloride

40. Q-100696; Q100696; Q 100696; Nsc-119754; Nsc119754; Nsc 119754

41. 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene;chloride

42. 6,7-dihydro-2h,10h-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium Chloride

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₄ClNO₄
Molecular Weight	355.8 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	355.0611356 g/mol
Monoisotopic Mass	355.0611356 g/mol
Topological Polar Surface Area	40.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	502
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

Coptisine Chloride

Coptisine Chloride

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