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    Distrontium Renelate Octahydrate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Distrontium renelate octahydrate, 674773-15-0, 8pd4806e06, Strontium ranelate, 3-thiopheneacetic acid, 5-(bis(carboxymethyl)amino)-2-carboxy-4-cyano-, strontium salt (1:2), octahydrate, Unii-8pd4806e06
    Molecular Formula
    C12H22N2O16SSr2
    Molecular Weight
    657.6  g/mol
    InChI Key
    ZHEZAQJNZMLYBA-UHFFFAOYSA-J
    FDA UNII
    8PD4806E06
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    distrontium;5-[bis(carboxylatomethyl)amino]-3-(carboxylatomethyl)-4-cyanothiophene-2-carboxylate;octahydrate
    2.1.2 InChI
    InChI=1S/C12H10N2O8S.8H2O.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;;;;;;;;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);8*1H2;;/q;;;;;;;;;2*+2/p-4
    2.1.3 InChI Key
    ZHEZAQJNZMLYBA-UHFFFAOYSA-J
    2.1.4 Canonical SMILES
    C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.O.[Sr+2].[Sr+2]
    2.2 Other Identifiers
    2.2.1 UNII
    8PD4806E06
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(3-cyano-4-carboxymethyl-5-carboxy-2-thienyl)-3-azapentanedioic Distrontium Salt

    2. Protelos

    3. S 12911

    4. S-12911

    5. S12911

    6. S12911-0

    7. S12911-2

    8. S12911-5

    9. Strontium Ranelate

    2.3.2 Depositor-Supplied Synonyms

    1. Distrontium Renelate Octahydrate

    2. 674773-15-0

    3. 8pd4806e06

    4. Strontium Ranelate

    5. 3-thiopheneacetic Acid, 5-(bis(carboxymethyl)amino)-2-carboxy-4-cyano-, Strontium Salt (1:2), Octahydrate

    6. Unii-8pd4806e06

    7. Dtxsid00217833

    8. Q27270857

    2.4 Create Date
    2013-04-19
    3 Chemical and Physical Properties
    Molecular Weight 657.6 g/mol
    Molecular Formula C12H22N2O16SSr2
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count19
    Rotatable Bond Count4
    Exact Mass657.8802283 g/mol
    Monoisotopic Mass657.8802283 g/mol
    Topological Polar Surface Area224 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity533
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count11
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Bone Density Conservation Agents

    Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS. (See all compounds classified as Bone Density Conservation Agents.)