loader
Please Wait
Applying Filters...

Bora CDMO Bora CDMO

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Prestwick3_000587, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Prestwick3_000587

    ANALYTICAL SOLUTION(s)

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    Also known as: 476-32-4, Stylophorin, Chelidonin, (+)-chelidonine, Khelidonin, Helidonine
    Molecular Formula
    C20H19NO5
    Molecular Weight
    353.4  g/mol
    InChI Key
    GHKISGDRQRSCII-ZOCIIQOWSA-N
    FDA UNII
    4UDG3LY0GT
    chelidonine is a natural product found in Sarcocapnos baetica, Sarcocapnos saetabensis, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
    2.1.2 InChI
    InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1
    2.1.3 InChI Key
    GHKISGDRQRSCII-ZOCIIQOWSA-N
    2.1.4 Canonical SMILES
    CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6
    2.1.5 Isomeric SMILES
    CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6
    2.2 Other Identifiers
    2.2.1 UNII
    4UDG3LY0GT
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Chelidonine Bisulfate

    2. Chelidonine Hydrochloride

    3. Chelidonine Sulfate

    4. Chelidonine Tartrate

    2.3.2 Depositor-Supplied Synonyms

    1. 476-32-4

    2. Stylophorin

    3. Chelidonin

    4. (+)-chelidonine

    5. Khelidonin

    6. Helidonine

    7. Stylophorine

    8. Chebi:31389

    9. 4udg3ly0gt

    10. 8k7ek8446j

    11. Chelidoniny

    12. (5br,6s,12bs)-13-methyl-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol

    13. Chelidonin [german]

    14. Chelidoniny [polish]

    15. Unii-8k7ek8446j

    16. Nsc646661

    17. (1)-chelidonine

    18. (1,3)benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5br,6s,12bs)-

    19. [1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5br,6s,12bs)-

    20. Einecs 207-504-1

    21. Chelidonine (+-)-

    22. Prestwick0_000587

    23. Prestwick1_000587

    24. Prestwick2_000587

    25. Prestwick3_000587

    26. Unii-4udg3ly0gt

    27. Chelidonine [inci]

    28. Bspbio_000434

    29. Chelidonine [who-dd]

    30. Diphylline (alkaloid)

    31. Chelidonine (+)-form

    32. Schembl563820

    33. Spbio_002653

    34. Bpbio1_000478

    35. Chembl496867

    36. Megxp0_001421

    37. Acon1_000007

    38. Chelidonine, (+/-)-

    39. Dtxsid10878474

    40. Hms3886n18

    41. Hy-n2369

    42. Chelidonine (+)-form [mi]

    43. Chelidonine, >=97.0% (hplc)

    44. Einecs 243-662-8

    45. Bdbm50480259

    46. Mfcd00069660

    47. S9154

    48. Zinc30727894

    49. Akos016010202

    50. Ccg-208430

    51. Chelidonine (+/-)-form [mi]

    52. Ncgc00167959-01

    53. Ncgc00167959-02

    54. Ncgc00167959-03

    55. Ncgc00167959-05

    56. Ncgc00167959-12

    57. Ac-34033

    58. Cs-0022550

    59. 476c324

    60. Sr-05000002251

    61. Q-100506

    62. Q1069066

    63. Sr-05000002251-2

    64. Brd-k32828673-001-01-5

    65. Brd-k32828673-002-03-9

    66. (1,3)benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5br,6s,12bs)-rel-

    67. (1s,12s,13r)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol

    68. (5br-(5b.alpha.,6.beta.,12b.alpha.))-5b,6,7,12b,13,14-hexahydro-13-methyl(1,3)benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridin-6-ol

    69. 5b,6,7,12b,13,14-hexahydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenan-thridin-6-ol

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 353.4 g/mol
    Molecular Formula C20H19NO5
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count0
    Exact Mass353.12632271 g/mol
    Monoisotopic Mass353.12632271 g/mol
    Topological Polar Surface Area60.4 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity560
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY