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    Chemistry

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    Also known as: Sodium taurocholate hydrate, 345909-26-4, 312693-83-7, Sodium taurocholate monohydrate, Sodium taurocholate dihydrate, Wox5f63thk
    Molecular Formula
    C26H46NNaO8S
    Molecular Weight
    555.7  g/mol
    InChI Key
    RDAJAQDLEFHVNR-NEMAEHQESA-M
    FDA UNII
    WOX5F63THK
    Sodium taurocholate hydrate
    1 2D Structure

    Sodium taurocholate hydrate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate;hydrate
    2.1.2 InChI
    InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;1H2/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1
    2.1.3 InChI Key
    RDAJAQDLEFHVNR-NEMAEHQESA-M
    2.1.4 Canonical SMILES
    CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.O.[Na+]
    2.1.5 Isomeric SMILES
    C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    WOX5F63THK
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Sodium Taurocholate Hydrate

    2. 345909-26-4

    3. 312693-83-7

    4. Sodium Taurocholate Monohydrate

    5. Sodium Taurocholate Dihydrate

    6. Wox5f63thk

    7. Mls002153446

    8. Taurocholic Acid Sodium Hydrate

    9. Sodium;2-[[(4r)-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate;hydrate

    10. Mfcd00150819

    11. Unii-wox5f63thk

    12. Sodiumtaurocholatemonohydrate

    13. Chembl1361792

    14. Chebi:181226

    15. Sodium Taurocholate Hydrate, 96%

    16. Taurocholic Acid (sodium Hydrate)

    17. Hms2234o08

    18. Akos025310496

    19. Smr001230811

    20. Cs-0213550

    21. D70719

    22. Sodium Taurocholate Hydrate, >=97.0% (tlc)

    23. Taurocholic Acid Sodium Salt Hydrate, >=95% (tlc)

    24. Taurocholic Acid Sodium Salt Hydrate, Bioxtra, >=95% (tlc)

    25. 2-[(3a,7a,12a-trihydroxy-24-oxo-5ss-cholan-24-yl)amino]ethanesulfonic Acid

    26. Ethanesulfonic Acid, 2-(((3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, Sodium Salt, Hydrate (1:1:1)

    27. Ethanesulfonic Acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, Sodium Salt, Hydrate (1:1:1)

    28. Sodium;2-[[(4r)-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulonate;hydrate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 555.7 g/mol
    Molecular Formula C26H46NNaO8S
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass555.28418288 g/mol
    Monoisotopic Mass555.28418288 g/mol
    Topological Polar Surface Area156 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity897
    Isotope Atom Count0
    Defined Atom Stereocenter Count11
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

    API SUPPLIERS

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    01

    Amphastar Pharmaceuticals

    U.S.A

    USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

    Compamed
    Not Confirmed
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    Amphastar Pharmaceuticals

    U.S.A

    USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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    Compamed
    Not Confirmed
    USDMF arrow-down Click Us! arrow-down
    ✖

    GDUFA

    DMF Review : N/A

    Rev. Date :

    Pay. Date :

    DMF Number : 33258

    Submission : 2018-11-21

    Status : Active

    Type : IV

     CEP/COS JDMF EU-WC NDC arrow-down
    ✖

    NDC Package Code : 52221-120

    Start Marketing Date : 2017-06-07

    End Marketing Date : 2024-12-31

    Dosage Form (Strength) : POWDER (500g/500g)

    Marketing Category : BULK INGREDIENT

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    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"","year":"2021","qtr":"Q2","strtotime":1624386600,"product":"A18346-14 SODIUM TAUROCHOLATE HYDRATE, 96%","address":"GODREJ COLISEUM,101A-101-B,SOMAIYAHOSPITAL ROAD, OFF EASTERN EXPRESS","city":"HIGH WAY, SION(E) MUMBA,MAHARASHTRA","supplier":"THERMO FISHER SCIENTIFIC ","supplierCountry":"UNITED STATES","foreign_port":"NEW YORK - JOHN F. K","customer":"THERMO FISHER SCIENTIFIC","customerCountry":"INDIA","quantity":"0.03","actualQuantity":"0.025","unit":"KGS","unitRateFc":"7128","totalValueFC":"180.6","currency":"USD","unitRateINR":"531392.4","date":"23-Jun-2021","totalValueINR":"13284.81","totalValueInUsd":"180.6","indian_port":"HYDERABAD AIR","hs_no":"29242990","bill_no":"4421401","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"NEW YORK - JOHN F. K","supplierAddress":"","customerAddress":"GODREJ COLISEUM,101A-101-B,SOMAIYAHOSPITAL ROAD, OFF EASTERN EXPRESS"},{"dataSource":"API Import","activeIngredients":"","year":"2021","qtr":"Q4","strtotime":1634927400,"product":"SODIUM TAUROCHOLATE HYDRATE (98%) (FOR LAB USE)","address":"608-B, SATELLITE GAZEBO ANDHERI GHATKOPAR LINK ROAD CHAKALA","city":"ANDHERI EAST","supplier":"BICHAL BIOLOGICAL DEVELOPMENT CO.LI","supplierCountry":"CHINA","foreign_port":"NA","customer":"SISCO RESEARCH LABORATORIES ","customerCountry":"INDIA","quantity":"2.00","actualQuantity":"2","unit":"KGS","unitRateFc":"1580","totalValueFC":"3197.5","currency":"USD","unitRateINR":"119764","date":"23-Oct-2021","totalValueINR":"239528","totalValueInUsd":"3197.5","indian_port":"BOMBAY AIR","hs_no":"29242990","bill_no":"5968889","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"608-B, SATELLITE GAZEBO ANDHERI GHATKOPAR LINK ROAD CHAKALA"}]
    23-Jun-2021
    23-Oct-2021
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