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    Chemistry

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

    Barnidipine

    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

    API SUPPLIERS

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    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"","year":"2021","qtr":"Q4","strtotime":1635445800,"product":"(FOR R & D LAB TESTING PURPOSE) BARNIDIPINE HCL (FORM CT-17TEST LIC NO.TL\/BZ\/21\/000496 DT.23\/04\/2021)","address":"12\/8 SARASWATHI AMMAL STREET MARUTHI SEVA NAGAR Contact No: 9177","city":"BANGALORE KARNATAKA","supplier":"OLON S.P.A","supplierCountry":"ITALY","foreign_port":"NA","customer":"MEDREICH","customerCountry":"INDIA","quantity":"5.00","actualQuantity":"5","unit":"KGS","unitRateFc":"3200","totalValueFC":"19009","currency":"EUR","unitRateINR":"284800","date":"29-Oct-2021","totalValueINR":"1424000","totalValueInUsd":"19009","indian_port":"BANGALORE AIR","hs_no":"29183090","bill_no":"6043860","productDescription":"API","marketType":"REGULATED MARKET","country":"ITALY","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"12\/8 SARASWATHI AMMAL STREET MARUTHI SEVA NAGAR Contact No: 9177"},{"dataSource":"API Import","activeIngredients":"","year":"2021","qtr":"Q4","strtotime":1638297000,"product":"(FOR R & D LAB TESTING PURPOSE) BARNIDIPINE HCL (FORM CT-17TEST LIC NO.TL\/BZ\/21\/000496 DT.23\/04\/2021)","address":"12\/8 SARASWATHI AMMAL STREET MARUTHI SEVA NAGAR Contact No: 9177","city":"BANGALORE KARNATAKA","supplier":"OLON S.P.A","supplierCountry":"ITALY","foreign_port":"MILAN - MALPENSA","customer":"MEDREICH","customerCountry":"INDIA","quantity":"3.00","actualQuantity":"3","unit":"KGS","unitRateFc":"3200","totalValueFC":"10894.9","currency":"EUR","unitRateINR":"273920","date":"01-Dec-2021","totalValueINR":"821760","totalValueInUsd":"10894.9","indian_port":"BANGALORE AIR","hs_no":"29339990","bill_no":"6475812","productDescription":"API","marketType":"REGULATED MARKET","country":"ITALY","selfForZScoreResived":"Pharma Grade","supplierPort":"MILAN - MALPENSA","supplierAddress":"","customerAddress":"12\/8 SARASWATHI AMMAL STREET MARUTHI SEVA NAGAR Contact No: 9177"}]
    29-Oct-2021
    01-Dec-2021
    KGS
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