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    Erythrityl Tetranitrate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: Erythrityl tetranitrate, Cardiloid, Cardivell, Cardiwell, Erythritetranitrat, 1,3,4-trinitrooxybutan-2-yl nitrate
    Molecular Formula
    C4H6N4O12
    Molecular Weight
    302.11  g/mol
    InChI Key
    SNFOERUNNSHUGP-UHFFFAOYSA-N
    A vasodilator with general properties similar to NITROGLYCERIN. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1020)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,3,4-trinitrooxybutan-2-yl nitrate
    2.1.2 InChI
    InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2
    2.1.3 InChI Key
    SNFOERUNNSHUGP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Erythrityl Tetranitrate

    2. Tetranitrate, Erythrityl

    2.2.2 Depositor-Supplied Synonyms

    1. Erythrityl Tetranitrate

    2. Cardiloid

    3. Cardivell

    4. Cardiwell

    5. Erythritetranitrat

    6. 1,3,4-trinitrooxybutan-2-yl Nitrate

    7. Erythritol, Tetranitrate

    8. 7297-25-8

    9. Schembl613474

    10. Chembl453636

    11. 1,2,3,4-butanetetrayl Nitrate

    12. Dtxsid20860007

    13. 1,3,4-butanetetralyl Tetranitrate

    14. Nsc106566

    15. Butane-1,2,3,4-tetrayl Tetranitrate

    16. 643-97-0

    17. 1,3,4-butanetetrol, Tetranitrate, (r*,s*)-

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 302.11 g/mol
    Molecular Formula C4H6N4O12
    XLogP31.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count7
    Exact Mass301.99822164 g/mol
    Monoisotopic Mass301.99822164 g/mol
    Topological Polar Surface Area220 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity326
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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.)