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    Oxaliplatin

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    2D Structure
    Also known as: (1r,2r)-cyclohexane-1,2-diamine;oxalic acid;platinum, Foloxatine, L-platin, Oxaliplatin,(s), Oxaliplatin, solid, Gsox
    Molecular Formula
    C8H16N2O4Pt
    Molecular Weight
    399.31  g/mol
    InChI Key
    OGAPHRMCCQCJOE-BNTLRKBRSA-N
    An organoplatinum complex in which the platinum atom is complexed with 1,2-diaminocyclohexane, and with an oxalate ligand which is displaced to yield active oxaliplatin derivatives. These derivatives form inter- and intra-strand DNA crosslinks that inhibit DNA replication and transcription. Oxaliplatin is an antineoplastic agent that is often administered with FLUOROURACIL and FOLINIC ACID in the treatment of metastatic COLORECTAL NEOPLASMS.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2R)-cyclohexane-1,2-diamine;oxalic acid;platinum
    2.1.2 InChI
    InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/t5-,6-;;/m1../s1
    2.1.3 InChI Key
    OGAPHRMCCQCJOE-BNTLRKBRSA-N
    2.1.4 Canonical SMILES
    C1CCC(C(C1)N)N.C(=O)(C(=O)O)O.[Pt]
    2.1.5 Isomeric SMILES
    C1CC[C@H]([C@@H](C1)N)N.C(=O)(C(=O)O)O.[Pt]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1,2 Diaminocyclohexane Platinum Oxalate

    2. 1,2-diaminocyclohexane Platinum Oxalate

    3. 1,2-diamminocyclohexane(trans-1)oxolatoplatinum(ii)

    4. Act 078

    5. Act-078

    6. Act078

    7. Cis-oxalato-(trans-l)-1,2-diaminocyclohexane-platinum(ii)

    8. Eloxatin

    9. L-ohp Cpd

    10. Oxalato-(1,2-cyclohexanediamine)platinum Ii

    11. Oxaliplatin

    12. Oxaliplatin, (sp-4-2-(1r-trans))-isomer

    13. Oxaliplatin, (sp-4-2-(1s-trans))-isomer

    14. Oxaliplatin, (sp-4-3-(cis))-isomer

    15. Oxaliplatine

    16. Platinum(2+) Ethanedioate (1r,2r)-1,2-cyclohexanediamine (1:1:1)

    17. Platinum(ii)-1,2-cyclohexanediamine Oxalate

    2.2.2 Depositor-Supplied Synonyms

    1. (1r,2r)-cyclohexane-1,2-diamine;oxalic Acid;platinum

    2. Foloxatine

    3. L-platin

    4. Oxaliplatin,(s)

    5. Oxaliplatin, Solid

    6. Gsox

    7. Mls000028569

    8. Act-078

    9. Hms2089p18

    10. Akos015964329

    11. Akos016016346

    12. Ac-2110

    13. Gs-3610

    14. 111ge010

    15. Smr000058995

    16. Ab00698415-04

    17. Ab00698415-05

    18. 825o943

    19. Brd-m14820059-001-04-0

    20. Oxaliplatin, European Pharmacopoeia (ep) Reference Standard

    21. Platinum(2+) Ion (1r,2r)-cyclohexane-1,2-diamine Oxalate

    22. Oxaliplatin, United States Pharmacopeia (usp) Reference Standard

    23. Oxaliplatin, Pharmaceutical Secondary Standard; Certified Reference Material

    2.3 Create Date
    2005-12-16
    3 Chemical and Physical Properties
    Molecular Weight 399.31 g/mol
    Molecular Formula C8H16N2O4Pt
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count0
    Exact Mass399.075801 g/mol
    Monoisotopic Mass399.075801 g/mol
    Topological Polar Surface Area127 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity139
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)