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    Technical details about Avasopasem manganese, learn more about the structure, uses, toxicity, action, side effects and more

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    Avasopasem manganese

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    2D Structure
    1. Also known as: Ey1wa413ul, Avasopasem manganese [usan], Gc4419, Sc-72325a, M-40419, Unii-ey1wa413ul
    Molecular Formula
    C21H35Cl2MnN5
    Molecular Weight
    483.4  g/mol
    InChI Key
    WXEMWBBXVXHEPU-NDOCQCNASA-L
    FDA UNII
    EY1WA413UL
    Avasopasem Manganese is a mimetic of the enzyme superoxide dismutase (SOD) that may potentially be used to reduce oral mucositis and esophagitis associated with radiation therapy and chemoradiotherapy. Upon administration, avasopasem manganese may mimic native SODs and catalyze the formation of molecular oxygen and hydrogen peroxide from the burst of superoxide anion present in the irradiated tissues upon radiation and/or induced by chemotherapy. This may decrease the damage of radiation and/or chemotherapy to normal tissues.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    manganese(2+);(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;dichloride
    2.1.2 InChI
    InChI=1S/C21H35N5.2ClH.Mn/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;;;/h5-7,18-25H,1-4,8-15H2;2*1H;/q;;;+2/p-2/t18-,19-,20-,21-;;;/m0.../s1
    2.1.3 InChI Key
    WXEMWBBXVXHEPU-NDOCQCNASA-L
    2.1.4 Canonical SMILES
    C1CCC2C(C1)NCCNC3CCCCC3NCC4=CC=CC(=N4)CN2.[Cl-].[Cl-].[Mn+2]
    2.1.5 Isomeric SMILES
    C1CC[C@H]2[C@H](C1)NCCN[C@H]3CCCC[C@@H]3NCC4=CC=CC(=N4)CN2.[Cl-].[Cl-].[Mn+2]
    2.2 Other Identifiers
    2.2.1 UNII
    EY1WA413UL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Avasopasem Manganese

    2. Gc4419

    2.3.2 Depositor-Supplied Synonyms

    1. Ey1wa413ul

    2. Avasopasem Manganese [usan]

    3. Gc4419

    4. Sc-72325a

    5. M-40419

    6. Unii-ey1wa413ul

    7. Avasopasem Manganese Dichloride

    8. Avasopasem Manganese [inn]

    9. Avasopasem Manganese [who-dd]

    10. Gc-4419

    11. (pbpy-7-11-2344'3')-dichloro((4as,13as,17as,21as)-1,2,3,4,4a,5,6,12,13,13a,14,15,16,17,17a,18,19,20,21,21a-icosahydro-7,11-azeno-7h-dibenzo(b,h)(1,4,7,10)tetraazacycloheptadecine-.kappa.5n5,n13,n18,n21,n22)manganese

    12. Manganese, Dichloro((4as,13as,17as,21as)-1,2,3,4,4a,5,6,12,13,13a,14,15,16,17,17a,18,19,20,21,21a-eicosahydro-7,11-nitrilo-7h-dibenzo(b,h)-5,13,18,21-tetraazacycloheptadecine-.kappa.n5,.kappa.n13,.kappa.n18,.kappa.n21,.kappa.n22)-, (pb-7-11-2344'3')-

    2.4 Create Date
    2013-07-08
    3 Chemical and Physical Properties
    Molecular Weight 483.4 g/mol
    Molecular Formula C21H35Cl2MnN5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count0
    Exact Mass482.164995 g/mol
    Monoisotopic Mass482.164995 g/mol
    Topological Polar Surface Area61 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity381
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Free Radical Scavengers

    Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY. (See all compounds classified as Free Radical Scavengers.)

    4.2 Mechanism of Action

    Avasopasem manganese is a superoxide dismutase mimetic that rapidly and selectively converts superoxide to hydrogen peroxide and oxygen in order to protect normal tissue from radiation therapy-induced damage. This drug is currently being investigated against oral mucositis, esophagitis, and COVID-19.

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