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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 Reference Price

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    [{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1717698600,"product":"BARNIDIPINE HCL","address":"CENTAUR HOUSE, SHANTI NAGAR,","city":"MUMBAI ,MAHARASHTRA","supplier":"OLON S.P.A","supplierCountry":"ITALY","foreign_port":"MILAN","customer":"CENTAUR PHARMACEUTICALS","customerCountry":"INDIA","quantity":"1.00","actualQuantity":"1","unit":"KGS","unitRateFc":"3500","totalValueFC":"3534.4","currency":"USD","unitRateINR":"295050","date":"07-Jun-2024","totalValueINR":"295050","totalValueInUsd":"3534.4","indian_port":"Bombay Air","hs_no":"29333990","bill_no":"3884648","productDescription":"API","marketType":"REGULATED MARKET","country":"ITALY","selfForZScoreResived":"Pharma Grade","supplierPort":"MILAN","supplierAddress":"STRADA RIVOLTANA KM,6\/7 20090 RODANO (MI)SDNF Italy","customerAddress":"CENTAUR HOUSE, SHANTI NAGAR,"}]
    07-Jun-2024
    07-Jun-2024
    KGS
    overview
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    Average Price (USD/KGS)

    Number of Transactions

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    Quantity (KGS) & Unit rate (USD/KGS) over time

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    (KGS)    		 Average Price
    (USD/KGS)    		 Number of Transactions

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