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Polpharma European CDMO Partner & API Manufacturer since 1951 Polpharma European CDMO Partner & API Manufacturer since 1951

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

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    Barnidipine

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    INTERMEDIATES

    DOSSIERs // Finished Dosage Forms

    GLOBAL SALES INFORMATION

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    2D Structure
    1. Also known as: Chembl1196918, Chembl4797317, Zinc26569563
    Molecular Formula
    C27H29N3O6
    Molecular Weight
    491.5  g/mol
    InChI Key
    VXMOONUMYLCFJD-RDGATRHJSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-O-[(3R)-1-benzylpyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
    2.1.2 InChI
    InChI=1S/C27H29N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3/t22-,25+/m1/s1
    2.1.3 InChI Key
    VXMOONUMYLCFJD-RDGATRHJSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(C(=C(N1)C)C(=O)OC2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
    2.1.5 Isomeric SMILES
    CC1=C([C@@H](C(=C(N1)C)C(=O)O[C@@H]2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Chembl1196918

    2. Chembl4797317

    3. Zinc26569563

    2.3 Create Date
    2005-10-11
    3 Chemical and Physical Properties
    Molecular Weight 491.5 g/mol
    Molecular Formula C27H29N3O6
    XLogP34.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass491.20563565 g/mol
    Monoisotopic Mass491.20563565 g/mol
    Topological Polar Surface Area114 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity917
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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