Please Wait
Applying Filters...
menu
    • menu
    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    Virtual Booth

    Contact Supplier

    Kikkoman Biochemifa Company advances global health and safety through precision-driven innovation in biotech and food testing.

    Virtual Booth

    Contact Supplier

    Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

    Virtual Booth

    Contact Supplier

    TransoPharm USA works in the Sourcing and Management of Active Pharmaceutical Ingredients.

    Virtual Booth

    Contact Supplier

    Moehs Group, a reference company in the production of pharmaceutical active ingredients.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-10-20

    Virtual Booth

    An Enquiry

    Menu

    Exeporfinium chloride

    DEVELOPMENTS

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    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