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    Chemistry

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    Also known as: Quadramet, Cyt-424, 160369-78-8, Samarium sm 153 lexidronam pentasodium, Quadramet (tn), Samarium sm 153 lexidronam pentasodium [usan]
    Molecular Formula
    C6H12N2Na5O12P4Sm
    Molecular Weight
    695.93  g/mol
    InChI Key
    SZZACTGRBZTAKY-NKNBZPHVSA-F
    FDA UNII
    7389YR3OOV
    Quadramet
    Samarium Sm-153 Lexidronam Pentasodium is the pentasodium salt of samarium Sm 153 lexidronam, a therapeutic agent consisting of a medium energy beta- and gamma-emitting radioisotope, samarium Sm 153, and a teraphosphonate chelator, ethylenediaminetetramethylene phosphonic acid (EDTMP). The chelator moiety of samarium Sm 153 lexidronam associates with hydroxyapatite crystals concentrated in areas of bone turnover, thereby selectively delivering samarium Sm 153-mediated cytotoxic radiation to osteoblastic bone metastases.
    Samarium sm-153 lexidronam pentasodium is a Radioactive Therapeutic Agent. The mechanism of action of samarium sm-153 lexidronam pentasodium is as a Radiopharmaceutical Activity.
    1 2D Structure

    Quadramet

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pentasodium;samarium-153(3+);N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
    2.1.2 InChI
    InChI=1S/C6H20N2O12P4.5Na.Sm/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;/q;5*+1;+3/p-8/i;;;;;;1+3
    2.1.3 InChI Key
    SZZACTGRBZTAKY-NKNBZPHVSA-F
    2.1.4 Canonical SMILES
    C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Sm+3]
    2.1.5 Isomeric SMILES
    C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[153Sm+3]
    2.2 Other Identifiers
    2.2.1 UNII
    7389YR3OOV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 153sm-edtmp

    2. Quadramet

    3. Samarate(5-)-153sm, (((1,2-ethanediylbis((nitrilo-kappa-n)bis(methylene)))tetrakis(phosphonato-kappa-o))(8-))-, Pentahydrogen, (oc-6-21)

    4. Samarium (153sm) Lexidronam

    5. Samarium Ethylenediaminetetramethylenephosphonate

    6. Samarium Sm-153 Lexidronam

    7. Samarium-153 Lexidronam

    8. Samarium-153-edtmp

    9. Sm-edtmp

    2.3.2 Depositor-Supplied Synonyms

    1. Quadramet

    2. Cyt-424

    3. 160369-78-8

    4. Samarium Sm 153 Lexidronam Pentasodium

    5. Quadramet (tn)

    6. Samarium Sm 153 Lexidronam Pentasodium [usan]

    7. Sm-153 Edtmp Pentasodium

    8. 7389yr3oov

    9. Samarium (153sm) Lexidronam Sodium (jan)

    10. Samarium Sm 153 Lexidronam Pentasodium (usan)

    11. Samarium Sm153 Lexidronam Pentasodium

    12. Samarium (153sm) Lexidronam Sodium [jan]

    13. Samarium Sm 153 Lexidronam Pentasodium Salt [mi]

    14. Samarium (153sm) Lexidronam Pentasodium [ema Epar]

    15. Samarium Sm-153 Lexidronam Pentasodium [orange Book]

    16. Samarium (153sm) Lexidronam Sodium

    17. Db09509

    18. Samarium (153sm) Lexidronam Pentasodium

    19. Samarium (153 Sm) Lexidronam Pentasodium

    20. Samarium Sm 153 Lexidronam Pentasodium Salt

    21. D05795

    22. Q3470652

    23. Samarium (153 Sm) Lexidronam Pentasodium [who-dd]

    24. Pentasodium;samarium-153(3+);n,n,n',n'-tetrakis(phosphonatomethyl)ethane-1,2-diamine

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 695.93 g/mol
    Molecular Formula C6H12N2Na5O12P4Sm
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count7
    Exact Mass695.80502 g/mol
    Monoisotopic Mass695.80502 g/mol
    Topological Polar Surface Area259 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity440
    Isotope Atom Count1
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count7
    4 Drug and Medication Information
    4.1 Drug Indication

    Quadramet is indicated for the relief of bone pain in patients with multiple painful osteoblastic skeletal metastases which take up technetium [99mTc]-labelled biphosphonates on bone scan.

    The presence of osteoblastic metastases which take up technetium [99mTc]-labelled biphosphonates should be confirmed prior to therapy.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Analgesics, Non-Narcotic

    A subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS. (See all compounds classified as Analgesics, Non-Narcotic.)

    5.2 FDA Pharmacological Classification
    5.2.1 Active Moiety
    SAMARIUM SM-153 LEXIDRONAM PENTASODIUM
    5.2.2 FDA UNII
    7389YR3OOV
    5.2.3 Pharmacological Classes
    Mechanisms of Action [MoA] - Radiopharmaceutical Activity
    5.3 ATC Code

    V10BX02

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