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    Technical details about Exeporfinium chloride, learn more about the structure, uses, toxicity, action, side effects and more

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    Exeporfinium chloride

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    2D Structure
    1. Also known as: Xf-73, Exeporfinium chloride [inn], 718638-68-7, 1912l54m2v, 3,3'-(21h,23h-porphyrin-5,15-diylbis(((4,1-phenylene)oxy)-n,n,n-trimethylpropan-1-aminium)) dichloride, Schembl584418
    Molecular Formula
    C44H50Cl2N6O2
    Molecular Weight
    765.8  g/mol
    InChI Key
    KJLHJQGDBJNMPU-UHFFFAOYSA-L
    FDA UNII
    1912L54M2V
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium;dichloride
    2.1.2 InChI
    InChI=1S/C44H50N6O2.2ClH/c1-49(2,3)25-7-27-51-37-17-9-31(10-18-37)43-39-21-13-33(45-39)29-35-15-23-41(47-35)44(42-24-16-36(48-42)30-34-14-22-40(43)46-34)32-11-19-38(20-12-32)52-28-8-26-50(4,5)6;;/h9-24,29-30,45,48H,7-8,25-28H2,1-6H3;2*1H/q+2;;/p-2
    2.1.3 InChI Key
    KJLHJQGDBJNMPU-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C[N+](C)(C)CCCOC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C(N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OCCC[N+](C)(C)C)C=C4)N3.[Cl-].[Cl-]
    2.2 Other Identifiers
    2.2.1 UNII
    1912L54M2V
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Xf-73

    2. Exeporfinium Chloride [inn]

    3. 718638-68-7

    4. 1912l54m2v

    5. 3,3'-(21h,23h-porphyrin-5,15-diylbis(((4,1-phenylene)oxy)-n,n,n-trimethylpropan-1-aminium)) Dichloride

    6. Schembl584418

    7. Chembl3822503

    8. Unii-1912l54m2v

    9. Dtxsid20992574

    10. Xf 73

    11. Q8041945

    12. 1-propanaminium, 3,3'-(21h,23h-porphine-5,15-diylbis(4,1-phenyleneoxy))bis(n,n,n-trimethyl-, Chloride (1:2)

    13. 1-propanaminium, 3,3'-(21h,23h-porphine-5,15-diylbis(4,1-phenyleneoxy))bis(n,n,n-trimethyl-, Dichloride

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 765.8 g/mol
    Molecular Formula C44H50Cl2N6O2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count12
    Exact Mass764.3372302 g/mol
    Monoisotopic Mass764.3372302 g/mol
    Topological Polar Surface Area75.8 Ų
    Heavy Atom Count54
    Formal Charge0
    Complexity994
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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