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    Isometamidium Chloride

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 879Xls

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    2D Structure
    Also known as: 20438-03-3, Samorin, Isometamidium ion, Isometamidium cation, Trypamidium, S9ha0wuw3h
    Molecular Formula
    C28H26N7+
    Molecular Weight
    460.6  g/mol
    InChI Key
    UGKOYGZYLRKTJH-UHFFFAOYSA-O
    FDA UNII
    S9HA0WUW3H
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide
    2.1.2 InChI
    InChI=1S/C28H25N7/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31/h3-17,29H,2H2,1H3,(H4,30,31,32,33)/p+1
    2.1.3 InChI Key
    UGKOYGZYLRKTJH-UHFFFAOYSA-O
    2.1.4 Canonical SMILES
    CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)C(=N)N)N
    2.2 Other Identifiers
    2.2.1 UNII
    S9HA0WUW3H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 8-(3-(m-amidinophenyl)-2-triazeno)-3-amino-5-ethyl-6-phenylphenanthridinium

    2. 8-3-m-amidinophenyl-2-triazano-3-amino-5-etheyl-6-phenylphenanthridinium Chloride

    3. 8-m-amidinophenyldiazoamino-3-amino-5-methyl-6-phenylphenanthridinium Chloride

    4. Ismm

    5. Isometamidium Cation

    6. Isometamidium Chloride

    7. Isometamidium Chloride, Monohydrochloride

    8. Isometamidium Ion

    9. Isometamidium Mesilate

    10. Isometamidium Mesylate

    11. Isometamidium Methanesulfonate

    12. Phenanthridinium, 3-amino-8-(3-(3-(aminoiminomethyl)phenyl)-1-triazenyl)-5-ethyl-6-phenyl-

    13. Phenanthridinium, 3-amino-8-(3-(3-(aminoiminomethyl)phenyl)-2-triazen-1-yl)-5-ethyl-6-phenyl-, Methanesulfonate (1:1)

    14. Samorin

    15. Trypamidium

    16. Veridium

    2.3.2 Depositor-Supplied Synonyms

    1. 20438-03-3

    2. Samorin

    3. Isometamidium Ion

    4. Isometamidium Cation

    5. Trypamidium

    6. S9ha0wuw3h

    7. Phenanthridinium, 3-amino-8-(3-(3-(aminoiminomethyl)phenyl)-1-triazenyl)-5-ethyl-6-phenyl-

    8. (e)-3-amino-8-(3-(3-carbamimidoylphenyl)triaz-1-en-1-yl)-5-ethyl-6-phenylphenanthridin-5-ium

    9. Ismm

    10. Unii-s9ha0wuw3h

    11. Schembl913500

    12. Chembl2111043

    13. Schembl17679335

    14. Dtxsid30174384

    15. Zinc4216649

    16. Bdbm50440390

    17. Akos030242652

    18. 3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide

    19. Q27289082

    20. Phenanthridinium, 8-(3-(m-amidinophenyl)-2-triazenol-3-amino-5-phenyl-

    21. 3-[(e)-[(3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)amino]azo]benzamidine

    22. 3-amino-8-[3-[3-(aminoiminomethyl)phenyl]-1-triazenyl]-5-ethyl-6-phenylphenanthridinium

    23. 8-(3-(m-amidinophenyl)-2-triazeno)-3-amino-5-ethyl-6-phenylphenanthridinium

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 460.6 g/mol
    Molecular Formula C28H26N7+
    XLogP35.9
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass460.22496886 g/mol
    Monoisotopic Mass460.22496886 g/mol
    Topological Polar Surface Area117 Ų
    Heavy Atom Count35
    Formal Charge1
    Complexity735
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Trypanocidal Agents

    Agents destructive to the protozoal organisms belonging to the suborder TRYPANOSOMATINA. (See all compounds classified as Trypanocidal Agents.)