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    CAS 10212-25-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Cyclocytidine hydrochloride, 10212-25-6, Cyclocytidine, 2,2'-o-cyclocytidine hydrochloride, Cyclo-cmp hydrochloride, Cyclocytidine hcl
    Molecular Formula
    C9H12ClN3O4
    Molecular Weight
    261.66  g/mol
    InChI Key
    KZOWNALBTMILAP-JBMRGDGGSA-N
    FDA UNII
    3T6920M469
    Congener of CYTARABINE that is metabolized to cytarabine and thereby maintains a more constant antineoplastic action.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H11N3O4.ClH/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8;/h1-2,4,6-8,10,13-14H,3H2;1H/t4-,6-,7+,8-;/m1./s1
    2.1.3 InChI Key
    KZOWNALBTMILAP-JBMRGDGGSA-N
    2.1.4 Canonical SMILES
    C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N.Cl
    2.1.5 Isomeric SMILES
    C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    3T6920M469
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ancitabine

    2. Anhydro-ara-c

    3. Cyclo C

    4. Cyclo-c

    5. Cycloc

    6. Cyclocytidine

    7. Nsc 145,668

    8. Nsc 145668

    9. Nsc-145,668

    10. Nsc-145668

    11. Nsc145,668

    12. Nsc145668

    13. U 33,624a

    14. U 33624a

    15. U-33,624a

    16. U-33624a

    17. U33,624a

    18. U33624a

    2.3.2 Depositor-Supplied Synonyms

    1. Cyclocytidine Hydrochloride

    2. 10212-25-6

    3. Cyclocytidine

    4. 2,2'-o-cyclocytidine Hydrochloride

    5. Cyclo-cmp Hydrochloride

    6. Cyclocytidine Hcl

    7. Octd Hydrochloride

    8. Ancitabin Hydrochlorid

    9. Ancitabine Hcl

    10. Ancitabine (hydrochloride)

    11. 2,2'-anhydrocytarabine Hydrochloride

    12. 2,2'-anhydroaracytidine Hydrochloride

    13. Nsc-145668

    14. 2,2'-anhydro-1-beta-d-arabinofuranosylcytosine Hydrochloride

    15. Ancitabine Hydrochloride [jan]

    16. 2,2'-anhydroarabinosylcytosine Hydrochloride

    17. (-)-cyclocytidine Hydrochloride

    18. Cyclo-c

    19. 2,2'-cyclocytidine Hydrochloride

    20. Chebi:74843

    21. 2,2'-anhydrocytidine Hydrochloride

    22. 3t6920m469

    23. (2r,3r,3as,9ar)-2-(hydroxymethyl)-6-imino-3,3a,6,9a-tetrahydro-2h-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-ol Hydrochloride

    24. Ancitabine Hydrochloride (jan)

    25. Mls001173324

    26. Ancitabin Hcl

    27. Ancitabin Hydrochloride

    28. Smr000538927

    29. Einecs 233-515-6

    30. 2,2'-cyclocytidine, Monohydrochloride

    31. Nsc 145668

    32. O-2,2'-cyclocytidine Monohydrochloride

    33. Unii-3t6920m469

    34. Mfcd00012636

    35. 2,2'-anhydro-1beta-d-arabinofuranosylcytosine Hydrochloride

    36. 1beta-d-arabinofuranosylcytosine, 2,2'-anhydro-, Hydrochloride

    37. 1-beta-d-arabinofuranosylcytosine, 2,2'-anhydro-, Hydrochloride

    38. Cytosine, 1-beta-d-arabinofuranosyl-2,2'-anhydro-, Hydrochloride

    39. Cytosine, 1beta-d-arabinofuranosyl-2,2'-anhydro-, Hydrochloride

    40. Schembl98180

    41. Mls000766878

    42. Mls001032024

    43. Mls006011603

    44. Nsc 145668 Hcl

    45. Chembl1255937

    46. Hy-n0093

    47. 2,2'-cyclocytidine Monohydrochloride

    48. Ancitabine Hydrochloride [mi]

    49. S1973

    50. Akos015896930

    51. Ac-8697

    52. Ccg-267066

    53. Cs-5313

    54. Ancitabine Hydrochloride [mart.]

    55. Ancitabine Hydrochloride [who-dd]

    56. 6h-furo(2',3':4,5)oxazolo(3,2-a)-pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, Monohydrochloride, Stereoisomer

    57. 6h-furo(2',3':4,5)oxazolo(3,2-a)pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, Monohydrochloride, (2r-(2alpha,3beta,3abeta,9abeta))-

    58. As-12870

    59. Tl8000113

    60. D01651

    61. 698c143

    62. J-700010

    63. Q27144957

    64. 2,2'-anhydro-(1-beta-d-arabinofuranosylcytosine) Hydrochloride

    65. 2,2'-anhydro-1-(beta-d-arabinofuranosyl)cytosine Hydrochloride

    66. Cyclocytidine Hydrochlorine; 2,2''-o-cyclocytidine Hydrochloride

    67. (2r,3r,3as,9ar)-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-6h-furo(2',3';4,5)oxazolo(3,2-a)pyrimidine-2-methanol, Hydrochloride

    68. (2r,3r,3as,9ar)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6h-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol Hydrochloride

    69. (2r,3r,3as,9ar)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol

    70. (2r,3r,3as,9ar)-2-(hydroxymethyl)-6-imino-3,3a,6,9a-tetrahydro-2h-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-3-olhydrochloride

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 261.66 g/mol
    Molecular Formula C9H12ClN3O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass261.0516336 g/mol
    Monoisotopic Mass261.0516336 g/mol
    Topological Polar Surface Area98.4 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity394
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antimetabolites, Antineoplastic

    Antimetabolites that are useful in cancer chemotherapy. (See all compounds classified as Antimetabolites, Antineoplastic.)