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    Chemistry

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    Also known as:
    Molecular Formula
    C12H17N5O4
    Molecular Weight
    295.29  g/mol
    InChI Key
    YXPVEXCTPGULBZ-WQYNNSOESA-N
    Entecavir Monohydrate
    1 2D Structure

    Entecavir Monohydrate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one;hydrate
    2.1.2 InChI
    InChI=1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/m0./s1
    2.1.3 InChI Key
    YXPVEXCTPGULBZ-WQYNNSOESA-N
    2.1.4 Canonical SMILES
    C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O
    2.1.5 Isomeric SMILES
    C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2NC(=NC3=O)N.O
    2.2 Create Date
    2007-05-07
    3 Chemical and Physical Properties
    Molecular Weight 295.29 g/mol
    Molecular Formula C12H17N5O4
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass295.12805404 g/mol
    Monoisotopic Mass295.12805404 g/mol
    Topological Polar Surface Area127 A^2
    Heavy Atom Count21
    Formal Charge0
    Complexity480
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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SHANGHAI LIGHT INDUSTRIAL PRODUCTS","supplierCountry":"CHINA","foreign_port":"NA","customer":"NATCO PHARMA","customerCountry":"INDIA","quantity":"1.00","actualQuantity":"1","unit":"KGS","unitRateFc":"128000","totalValueFC":"130513.5","currency":"USD","unitRateINR":"10739200","date":"25-Oct-2022","totalValueINR":"10739200","totalValueInUsd":"130513.5","indian_port":"HYDERABAD AIR","hs_no":"29335990","bill_no":"3031102","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"NATCO HOUSE, ROAD NO.2,,BANJARA H ILLS,"}]
    29-Mar-2021
    11-Oct-2024
    KGS
    overview
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    Average Price (USD/KGS)

    Number of Transactions

    Total Quantity (KGS)

    Total Value (USD)

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

    API Imports and Exports

    Importing Country Total Quantity
    (KGS)    		 Average Price
    (USD/KGS)    		 Number of Transactions

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