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    Ditripental

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
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    2D Structure
    Also known as: Calcium trisodium pentetate, 12111-24-9, Calcium trisodium dtpa, Ditripental, 62796-80-9, Diethylenetriaminepentaacetic acid calcium trisodium salt
    Molecular Formula
    C14H18CaN3Na3O10
    Molecular Weight
    497.35  g/mol
    InChI Key
    AYFCVLSUPGCQKD-UHFFFAOYSA-I
    FDA UNII
    G79YN26H5B
    An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;trisodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
    2.1.2 InChI
    InChI=1S/C14H23N3O10.Ca.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;+2;3*+1/p-5
    2.1.3 InChI Key
    AYFCVLSUPGCQKD-UHFFFAOYSA-I
    2.1.4 Canonical SMILES
    C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    G79YN26H5B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ca-dtpa

    2. Cadtpa

    3. Calcium Trisodium Pentetate

    4. Cana-dtpa

    5. Detapac

    6. Diethylenetriamine Pentaacetic Acid

    7. Dtpa

    8. Indium Dtpa

    9. Indium-dtpa

    10. Mn-dtpa

    11. Pentaacetic Acid, Diethylenetriamine

    12. Pentacin

    13. Pentacine

    14. Pentaind

    15. Pentetate Zinc Trisodium

    16. Pentetate, Calcium Trisodium

    17. Pentetates

    18. Pentetic Acid

    19. Penthanil

    20. Sn-dtpa

    21. Zinc Dtpa

    22. Zinc-dtpa

    2.3.2 Depositor-Supplied Synonyms

    1. Calcium Trisodium Pentetate

    2. 12111-24-9

    3. Calcium Trisodium Dtpa

    4. Ditripental

    5. 62796-80-9

    6. Diethylenetriaminepentaacetic Acid Calcium Trisodium Salt

    7. Nsc-34249

    8. Pentetate Calcium Trisodium [usan]

    9. Calcium Trisodium Diethylenetriaminepentaacetate

    10. Calcium Trisodium Pentetate (inn)

    11. Calcium Trisodium Pentetate [inn]

    12. Calcium Trisodium Diethylenetriamine Pentaacetate

    13. G79yn26h5b

    14. Nsc34249

    15. Diethylenetriamine-pentaacetic Acid Calcium Trisodium Salt

    16. Cadtpa

    17. Calcium Trinatrium Dtpa

    18. 2,4-diaminophenolsulfate

    19. Chembl1200945

    20. Dtxsid8065248

    21. Pentetate Calcium Trisodium (tn)

    22. Db06805

    23. Pentetate Calcium Trisodium (jan/usan)

    24. Pentetate Calcium Trisodium [ii]

    25. Pentetate Calcium Trisodium [mi]

    26. Pentetate Calcium Trisodium [jan]

    27. Pentetate Calcium Trisodium [vandf]

    28. Calcium Trisodium Pentetate [mart.]

    29. Calcium Trisodium Pentetate [who-dd]

    30. D1869

    31. D05419

    32. Pentetate Calcium Trisodium [orange Book]

    33. J-013549

    34. Q27278883

    35. 2-(bis(2-(bis(carboxymethyl)amino)ethyl)amino)acetic Acid, Calcium Trisodium Salt

    36. Calciate(3-),(n,n-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))-,trisodium

    37. Trisodium(n,n-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))calciate(3-)

    38. Calciate(3-), [n-[2-[bis[(carboxy-.kappa.o)methyl]amino-.kappa.n]ethyl]-n-[2-[[(carboxy-.kappa.o)methyl](carboxymethyl)amino-.kappa.n]ethyl]glycinato(5-)-.kappa.n]-, Sodium (1:3)

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 497.35 g/mol
    Molecular Formula C14H18CaN3Na3O10
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count11
    Exact Mass497.0311175 g/mol
    Monoisotopic Mass497.0311175 g/mol
    Topological Polar Surface Area210 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity454
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Iron Chelating Agents

    Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems. (See all compounds classified as Iron Chelating Agents.)

    Chelating Agents

    Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS. (See all compounds classified as Chelating Agents.)

    Antidotes

    Agents counteracting or neutralizing the action of POISONS. (See all compounds classified as Antidotes.)

    4.2 FDA Pharmacological Classification
    4.2.1 Pharmacological Classes
    Lead Chelator [EPC]; Lead Chelating Activity [MoA]