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    Rostaporfin

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Tin ethyl etiopurpurin, Purlytin, Snet2, Rostaporfin [mi], Rostaporfin [inn], Rostaporfin [usan]
    Molecular Formula
    C37H42Cl2N4O2Sn-4
    Molecular Weight
    764.4  g/mol
    InChI Key
    XRJWACZWBZYJTB-HQTZEDFWSA-K
    FDA UNII
    466G63QE7G
    Tin Ethyl Etiopurpurin is a synthetic purpurin with photosensitizing activity. Tin ethyl etiopurpurin preferentially accumulates in tumor cells due to an increased rate of metabolism. Upon exposure to a light source, this agent absorbs light, forming an extended high energy conformational state that produces high quantum yields of singlet oxygen with local cytotoxic effects. (NCI04)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 InChI
    InChI=1S/C37H43N4O2.2ClH.Sn/c1-10-23-19(6)29-17-33-25(12-3)21(8)34(40-33)26-15-27(36(42)43-14-5)37(13-4)22(9)30(41-35(26)37)18-32-24(11-2)20(7)28(39-32)16-31(23)38-29;;;/h15-18,22H,10-14H2,1-9H3,(H-,38,39,40,41,42);2*1H;/q-1;;;/p-3/t22-,37-;;;/m1.../s1
    2.1.2 InChI Key
    XRJWACZWBZYJTB-HQTZEDFWSA-K
    2.2 Other Identifiers
    2.2.1 UNII
    466G63QE7G
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Etiopurpurin, Tin

    2. Snet2

    3. Tin Etiopurpurin

    4. Tin Etiopurpurin Dichloride

    2.3.2 Depositor-Supplied Synonyms

    1. Tin Ethyl Etiopurpurin

    2. Purlytin

    3. Snet2

    4. Rostaporfin [mi]

    5. Rostaporfin [inn]

    6. Rostaporfin [usan]

    7. Snet-2

    8. Rostaporfin [mart.]

    9. 466g63qe7g

    10. (oc-6-13)-dichloro(rel-ethyl(18r,19s)-3,4,20,21-tetradehydro-4,9,14,19-tetraethyl-18,19-dihydro-3,8,13,18-tetramethyl-20-phorbinecarboxylato(2-)-.kappa.n(sup 23), .kappa.n(sup 24), .kappa.n(sup 25), .kappa.n(sup 26))tin

    11. Tin, Dichloro(rel-ethyl (18r,19s)-3,4,20,21-tetradehydro-4,9,14,19-tetraethyl-18,19-dihydro-3,8,13,18-tetramethyl-20-phorbinecarboxylato(2-)-.kappa.n23,.kappa.n24,.kappa.n25,.kappa.n26)-, (oc-6-13)-

    12. Tin, Dichloro(rel-ethyl(18r,19s)-3,4,20,21-tetradehydro-4,9,14,19-tetraethyl-18,19-dihydro-3,8,13,18-tetramethyl-20-phorbinecarboxylato(2-)-.kappa.-n(sup 23),-.kappa.-n(sup 24),-.kappa.-n(sup 25),-.kappa.-n(sup 26))-, (oc-6-13)-

    2.4 Create Date
    2021-02-16
    3 Chemical and Physical Properties
    Molecular Weight 764.4 g/mol
    Molecular Formula C37H42Cl2N4O2Sn-4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area54.1
    Heavy Atom Count46
    Formal Charge-4
    Complexity1050
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    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

    Photosensitizing Agents

    Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms. (See all compounds classified as Photosensitizing Agents.)

    Radiation-Sensitizing Agents

    Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells. (See all compounds classified as Radiation-Sensitizing Agents.)