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    Technical details about 694-83-7, learn more about the structure, uses, toxicity, action, side effects and more

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    694-83-7

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    2D Structure
    Also known as: Cyclohexane-1,2-diamine, 1,2-diaminocyclohexane, 694-83-7, Cyclohex-1,2-ylenediamine, (rel)-oxaliplatin, Dtxsid0027301
    Molecular Formula
    C6H14N2
    Molecular Weight
    114.19  g/mol
    InChI Key
    SSJXIUAHEKJCMH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    cyclohexane-1,2-diamine
    2.1.2 InChI
    InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2
    2.1.3 InChI Key
    SSJXIUAHEKJCMH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(C(C1)N)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1,2-cyclohexanediamine, (1r,2r)-

    2. 1,2-cyclohexanediamine, (1r-trans)-

    3. 1,2-cyclohexanediamine, (1s,2s)-

    4. 1,2-cyclohexanediamine, (1s-trans)-

    5. 1,2-cyclohexanediamine, (cis)-isomer

    6. 1,2-cyclohexanediamine, (trans)-(r)-isomer

    7. 1,2-cyclohexanediamine, (trans)-(s)-isomer

    8. 1,2-cyclohexanediamine, (trans)-isomer

    9. 1,2-dach

    10. 1,2-diaminocyclohexane

    11. 1,2-diaminocyclohexane, (+)-

    12. 1,2-diaminocyclohexane, (-)-

    13. 1,2-diaminocyclohexane, Cis-

    14. 1,2-diaminocyclohexane, Trans-

    15. Cyclohexane-1,2-diamine

    16. Dach

    17. Meso-1,2-diaminocyclohexane

    18. Trans-1,2-cyclohexanediamine

    19. Trans-1,2-diaminocyclohexane

    2.2.2 Depositor-Supplied Synonyms

    1. Cyclohexane-1,2-diamine

    2. 1,2-diaminocyclohexane

    3. 694-83-7

    4. Cyclohex-1,2-ylenediamine

    5. (rel)-oxaliplatin

    6. Dtxsid0027301

    7. Dtxcid707301

    8. 1,2-cylohexanediamine

    9. Cas-694-83-7

    10. Dach

    11. Cis-1,2-cyclohexandiamine

    12. Hsdb 5748

    13. (r,r)-dach

    14. Trans-1,2-cyclohexaneiamine

    15. Einecs 211-776-7

    16. Unii-c82tx76bhh

    17. Brn 0506142

    18. Pyridoxal Phosphate (calcium Salt)

    19. (+)-s,s-1,2-diaminocyclohexane

    20. Mfcd00062985

    21. Rac-(1r,2r)-cyclohexane-1,2-diamine

    22. (1r,2s)-1,2-diaminocyclohexane; (r)(s)-1,2-diaminocyclohexane; (+/-)-cis-cyclohexane-1,2-diamine; Cis-(1s,2r)-1,2-diaminocyclohexane; Cis-1,2-cyclohexanediamine; Cis-1,2-diaminocyclohexane

    23. 1,2-diamino Cyclohexane

    24. Cyclohexane 1,2-diamine

    25. Ec 211-776-7

    26. 1,2-diaminocyclohexane,c&t

    27. C82tx76bhh

    28. Schembl29457

    29. 0-13-00-00001 (beilstein Handbook Reference)

    30. Schembl687020

    31. Pyridoxal, 5-(dihydrogen Phosphate), Calcium Salt (1:1) (8ci)

    32. Dch-99

    33. Chembl1356279

    34. Chebi:93778

    35. Bcp04075

    36. Bcp22662

    37. Tox21_201883

    38. Tox21_303220

    39. Bbl027344

    40. Mfcd00001491

    41. Nsc362640

    42. Nsc362641

    43. Stl372729

    44. (+/-)-1,2-trans-diaminocyclohexane

    45. Akos000119859

    46. Akos016842498

    47. Nsc-362640

    48. Nsc-362641

    49. Pb47571

    50. Sb44188

    51. Cyclohexanediamine1,2-cyclohexanediamine

    52. Ncgc00166039-01

    53. Ncgc00166039-02

    54. Ncgc00257130-01

    55. Ncgc00259432-01

    56. Sy001269

    57. Sy004140

    58. Vs-08529

    59. (1r,2r)-(-)- 1,2-diaminocyclohexane

    60. Db-010810

    61. Db-011652

    62. Db-027311

    63. Db-042698

    64. Am20070551

    65. D0277

    66. Ns00002024

    67. En300-19626

    68. (1s)-trans-1,2-cyclohexanediamine; (s,s)-dach

    69. L000760

    70. W-104620

    71. Q27165475

    72. Z104474510

    73. (' Inverted Exclamation Marka)-trans-1,2-diaminocyclohexan

    74. (1r,2r)-cyclohexane-1,2-diamine;(1r,2r)-(-)-1,2-cyclohexanediamine

    75. 1224727-05-2

    2.3 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 114.19 g/mol
    Molecular Formula C6H14N2
    XLogP3-0.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area52
    Heavy Atom Count8
    Formal Charge0
    Complexity62.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Therapeutic Uses

    MALONATO-, HYDROXYMALONATO-, DINITRO-, HYDROXONITRATO-, & SULFATO(1,2-DIAMINOCYCLOHEXANE) PLATINUM(II), PREPARED FROM DICHLORO(1,2-DIAMINOCYCLOHEXANE WERE MORE EFFECTIVE THAN DICHLORO (1,2-DIAMINOCYCLOHEXANE)PLATINUM(II) IN THE TREATMENT OF L1210 LEUKEMIA IN MICE, BOTH ALONE & IN COMBINATION WITH CYCLOPHOSPHAMIDE OR YOSHI 864.

    GALE GR, MEISCHEN SJ; 1,2-DIAMINOCYCLOHEXANE PLATINUM(II) COMPLEXES HAVING ANTINEOPLASTIC ACTIVITY; US PATENT APPLICATION PATENT NUMBER 719689 9/02/76 (US DEPT OF HEALTH, EDUCATION & WELFARE)

    5 Pharmacology and Biochemistry
    5.1 Mechanism of Action

    /PLATINUM CO-ORDINATION COMPLEXES/ SHARE THE COMMON FORMULA PTA2X2... THE ACTIVE LIGANDS ARE MONODENTATE ANIONS OF INTERMEDIATE LEAVING ABILITY, WHEREAS THE AMINE A LIGANDS INFLUENCE THE SOLUBILITY OF THE COMPLEX. THE STEREOSPECIFICITY OF THE ANTI-TUMOR EFFECT IS AN IMPORTANT PROPERTY OF THE PLATINUM COMPLEXES. ... INDIRECT EVIDENCE SUGGESTS THAT BINDING TO ADJACENT GUANINE BASES IN THE SAME DNA STRAND IS IMPORTANT TO THE MODE OF ACTION. AFTER INITIAL BINDING TO GUANINE BASES, DNA BECOMES LOCALLY DENATURED AND EXPOSES ADDITIONAL CROSS-LINKING SITES. /PLATINUM COMPLEXES/

    The Royal Society of Chemistry. Foreign Compound Metabolism in Mammals. Volume 6: A Review of the Literature Published during 1978 and 1979. London: The Royal Society of Chemistry, 1981., p. 364

    ...THE TOXIC EFFECT ON ANIMALS OF PLATINUM ITSELF DIFFERS ESSENTIALLY FROM THAT OF THE COMPLEX SALTS. ...THE ACTION OF THESE SALTS IS NOT DUE TO THE SEPARATE COMPONENTS, PLATINUM AND THE BASE, BUT TO THAT OF THE MOLECULE AS A WHOLE ON SENSITIVE TISSUES, AND THEIR PHYSIOLOGICAL EFFECT, THOUGH VARYING IN DEGREE, IS IDENTICAL IN CHARACTER. ...AN INCREASE IN THE VALENCY OF THE AMMONIUM COMPONENT WAS ASSOCIATED WITH A STRONGER "CURARE-LIKE" ACTION WHILE A CHANGE IN THE VALENCY OF THE PLATINUM HAD NO INFLUENCE ON THE TOXIC EFFECT. /PLATINUM COMPLEXES/

    Browning, E. Toxicity of Industrial Metals. 2nd ed. New York: Appleton-Century-Crofts, 1969., p. 271