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    Also known as: 85536-03-4, Chlorophyllin sodium copper salt, Copper;trisodium;3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate, Chlorophyllins, Chlorophyllide cu complex sodium salt, Derifil (tn)
    Molecular Formula
    C34H31CuN4Na3O6
    Molecular Weight
    724.1  g/mol
    InChI Key
    HWDGVJUIHRPKFR-UHFFFAOYSA-I
    Sodium-Copper Chlorin E6
    1 2D Structure

    Sodium-Copper Chlorin E6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    copper;trisodium;3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate
    2.1.2 InChI
    InChI=1S/C34H36N4O6.Cu.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5
    2.1.3 InChI Key
    HWDGVJUIHRPKFR-UHFFFAOYSA-I
    2.1.4 Canonical SMILES
    CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Na+].[Na+].[Na+].[Cu+2]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 85536-03-4

    2. Chlorophyllin Sodium Copper Salt

    3. Copper;trisodium;3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate

    4. Chlorophyllins

    5. Chlorophyllide Cu Complex Sodium Salt

    6. Derifil (tn)

    7. Einecs 287-483-3

    8. Sodiumcopperchlorophyllin

    9. Dsstox_cid_25956

    10. Dsstox_rid_81252

    11. Dsstox_gsid_45956

    12. Sodium Copper Chlorophyllin (jan)

    13. Bcp30570

    14. Tox21_111482

    15. Akos037515776

    16. Chlorophyllin Copper Complex Sodium (usp)

    17. Cas-11006-34-1

    18. D06465

    19. J-002369

    20. W-107061

    21. Cuprate(3-), [(7s,8s)-3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21h,23h-porphine-7-propanoato(5-)-.kappa.n21,.kappa.n22,.kappa.n23,.kappa.n24]-, Trisodium, (sp-4-2)-

    22. Natural Green 3;potassium Sodium Copper Chlorophyllin;chlorophyl Cu Complex;copper Sodium Chlorophyllin

    2.3 Create Date
    2008-02-08
    3 Chemical and Physical Properties
    Molecular Weight 724.1 g/mol
    Molecular Formula C34H31CuN4Na3O6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass723.123265 g/mol
    Monoisotopic Mass723.123265 g/mol
    Topological Polar Surface Area165 Ų
    Heavy Atom Count48
    Formal Charge0
    Complexity1750
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5

    API Reference Price

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    [{"dataSource":"API Export","activeIngredients":"","year":"2023","qtr":"Q2","strtotime":1684089000,"product":"SODIUM COPPER CHLOROPHYLLIN CAS NUMBER11006 34 1","address":"N\/A","city":"Latur","supplier":"ALCHEMOS PRIVATE LIMITED","supplierCountry":"INDIA","foreign_port":"LOS ANGELES","customer":"PAPCHEM INTERNATIONAL LLC","customerCountry":"UNITED STATES","quantity":"75.00","actualQuantity":"75","unit":"KGS","unitRateFc":"130","totalValueFC":"9284.9","currency":"USD","unitRateINR":10186.666666666666,"date":"15-May-2023","totalValueINR":"764000","totalValueInUsd":"9284.9","indian_port":"BOMBAY AIR","hs_no":"29362290","bill_no":"0","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"BOMBAY AIR","supplierAddress":"N\/A, Latur","customerAddress":""}]
    15-May-2023
    15-May-2023
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