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    Andiamine

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 14Xls

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    2D Structure
    Also known as: Andiamine, 50-62-4, Reoxyl, Ustimon, P60cs4tihv, Flussicor
    Molecular Formula
    C30H46Cl2N2O10
    Molecular Weight
    665.6  g/mol
    InChI Key
    GIOKUMNZQFCEPI-UHFFFAOYSA-N
    FDA UNII
    P60CS4TIHV
    A potent vasoactive agent that dilates cerebral and coronary arteries, but slightly constricts femoral arteries, without any effects on heart rate, blood pressure or cardiac output.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[methyl-[2-[methyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]amino]ethyl]amino]propyl 3,4,5-trimethoxybenzoate;dihydrochloride
    2.1.2 InChI
    InChI=1S/C30H44N2O10.2ClH/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6;;/h17-20H,9-16H2,1-8H3;2*1H
    2.1.3 InChI Key
    GIOKUMNZQFCEPI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCN(C)CCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    P60CS4TIHV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Andiamine

    2. Ditrimine

    3. Hexobendine

    4. Ustimon

    2.3.2 Depositor-Supplied Synonyms

    1. Andiamine

    2. 50-62-4

    3. Reoxyl

    4. Ustimon

    5. P60cs4tihv

    6. Flussicor

    7. 3-[methyl-[2-[methyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]amino]ethyl]amino]propyl 3,4,5-trimethoxybenzoate;dihydrochloride

    8. Hexobendine Hcl

    9. (ethane-1,2-diylbis(methylazanediyl))bis(propane-3,1-diyl) Bis(3,4,5-trimethoxybenzoate) Dihydrochloride

    10. 3-[methyl-[2-[methyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]amino]ethyl]amino]propyl3,4,5-trimethoxybenzoate Dihydrochloride

    11. Einecs 200-054-7

    12. Unii-p60cs4tihv

    13. Hexobendine Hydrochloride

    14. Hexobendine Dihy-drochloride

    15. Benzoic Acid, 3,4,5-trimethoxy-, 1,2-ethanediylbis((methylimino)-3,1-propanediyl) Ester, 2hcl

    16. N,n'-dimethyl-n,n'-bis(3-(3',4',5'-trimethoxybenzoxy)propyl)ethylenediamine Dihydrochloride

    17. Schembl317378

    18. Dtxsid90964485

    19. St-7090

    20. Hexobendine Dihydrochloride [mi]

    21. Benzoic Acid, 3,4,5-trimethoxy-, Diester With 3,3'-(ethylenebis(methylimino))di-1-propanol, Dihydrochloride

    22. Hexobendine Hydrochloride [who-dd]

    23. Ft-0669197

    24. Q27286267

    25. (ethane-1,2-diyl)bis[(methylazanediyl)propane-3,1-diyl] Bis(3,4,5-trimethoxybenzoate)--hydrogen Chloride (1/2)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 665.6 g/mol
    Molecular Formula C30H46Cl2N2O10
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count21
    Exact Mass664.2529511 g/mol
    Monoisotopic Mass664.2529511 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count44
    Formal Charge0
    Complexity684
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)