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    Narciclasine

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 29477-83-6, Lycoricidinol, Lycoricidin-a, Narciclasina, Lycorcidinol, Nacriclasine
    Molecular Formula
    C14H13NO7
    Molecular Weight
    307.25  g/mol
    InChI Key
    LZAZURSABQIKGB-AEKGRLRDSA-N
    narciclasine is a natural product found in Lycoris sanguinea, Lycoris squamigera, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
    2.1.2 InChI
    InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1
    2.1.3 InChI Key
    LZAZURSABQIKGB-AEKGRLRDSA-N
    2.1.4 Canonical SMILES
    C1OC2=C(O1)C(=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O)O
    2.1.5 Isomeric SMILES
    C1OC2=C(O1)C(=C3C(=C2)C4=C[C@@H]([C@H]([C@H]([C@@H]4NC3=O)O)O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 29477-83-6

    2. Lycoricidinol

    3. Lycoricidin-a

    4. Narciclasina

    5. Lycorcidinol

    6. Nacriclasine

    7. Nsc266535

    8. 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-(1,3)dioxolo(4,5-j)phenanthridin-6(2h)-one

    9. Chembl98745

    10. (2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one

    11. Chebi:70169

    12. (2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2h-[1,3]dioxolo[4,5-j]phenanthridin-6-one

    13. Nsc 266535

    14. Brn 1087400

    15. (2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one

    16. (2s,3r,4s,4ar)-3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-(1,3)dioxolo(4,5-j)phenanthridin-6(2h)-one

    17. Mls002703039

    18. Mfcd01729949

    19. Schembl625165

    20. Cid_619061

    21. Dtxsid70183677

    22. Narciclasine, >=98% (hplc)

    23. Zinc4097652

    24. Bdbm50293603

    25. Akos024457767

    26. Cs-1051

    27. Nsc-266535

    28. (1,3)dioxolo(4,5-j)phenanthridin-6(2h)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (2s-(2-alpha,3-beta,4-beta,4a-beta))-

    29. Bp-25400

    30. Hy-16563

    31. Nci60_002146

    32. C08533

    33. J-017538

    34. Brd-k06792661-001-01-9

    35. Q18379239

    36. [1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (2s,3r,4s,4ar)

    37. [1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (2s,3r,4s,4ar)-

    38. [1,5-j]phenanthridin-6(2h)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, [2s-(2.alpha.,3.beta.,4.beta.,4a.beta.)]-

    39. 3kf

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 307.25 g/mol
    Molecular Formula C14H13NO7
    XLogP3-1.2
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count0
    Exact Mass307.06920175 g/mol
    Monoisotopic Mass307.06920175 g/mol
    Topological Polar Surface Area129 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity523
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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