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    Chemistry

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    Also known as: Bile salt, Bile salts, Chebi:22868, C01558
    Molecular Formula
    C24H40O5
    Molecular Weight
    408.6  g/mol
    InChI Key
    BHQCQFFYRZLCQQ-UMZBRFQRSA-N
    Bile Salts
    Steroid acids and salts. The primary bile acids are derived from cholesterol in the liver and usually conjugated with glycine or taurine. The secondary bile acids are further modified by bacteria in the intestine. They play an important role in the digestion and absorption of fat. They have also been used pharmacologically, especially in the treatment of gallstones.
    1 2D Structure

    Bile Salts

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(3R,5S,7R,12S)-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]pentanoic acid
    2.1.2 InChI
    InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16?,17?,18?,19+,20-,22?,23?,24?/m0/s1
    2.1.3 InChI Key
    BHQCQFFYRZLCQQ-UMZBRFQRSA-N
    2.1.4 Canonical SMILES
    CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
    2.1.5 Isomeric SMILES
    CC(CCC(=O)O)C1CCC2C1([C@H](CC3C2[C@@H](C[C@H]4C3(CC[C@H](C4)O)C)O)O)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Acid, Bile

    2. Acids, Bile

    3. Bile Acids

    4. Bile Acids And Salts

    5. Bile Salt

    6. Bile Salts

    7. Salt, Bile

    8. Salts, Bile

    2.2.2 Depositor-Supplied Synonyms

    1. Bile Salt

    2. Bile Salts

    3. Chebi:22868

    4. C01558

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 408.6 g/mol
    Molecular Formula C24H40O5
    XLogP33.6
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass408.28757437 g/mol
    Monoisotopic Mass408.28757437 g/mol
    Topological Polar Surface Area98 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity637
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count7
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Gastrointestinal Agents

    Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion. (See all compounds classified as Gastrointestinal Agents.)

    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q4","strtotime":1671647400,"product":"BILE SALTS NO. 3 (END USE FOR PREPARING CULTURE MEDIA)","address":"A - 902A RIICO INDUSTRIAL AREA,PHA SE - III","city":"BHIWADI,RAJASTHAN","supplier":"ICE PHARMA","supplierCountry":"ITALY","foreign_port":"NA","customer":"TITAN BIOTECH","customerCountry":"INDIA","quantity":"60.00","actualQuantity":"60","unit":"KGS","unitRateFc":"256.1","totalValueFC":"15579.3","currency":"USD","unitRateINR":"21397.2","date":"22-Dec-2022","totalValueINR":"1283829.3","totalValueInUsd":"15579.3","indian_port":"DELHI AIR","hs_no":"29181990","bill_no":"3854829","productDescription":"API","marketType":"REGULATED MARKET","country":"ITALY","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"A - 902A RIICO INDUSTRIAL AREA,PHA SE - III"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1714415400,"product":"BILE SALTS NO. 3 (END USE FOR PREPARING CULTURE MEDIA)","address":"A-902A, RIICO INDUSTRIAL AREA","city":"BHIWADI RAJASTHAN","supplier":"NEW ZEALAND PHARMACEUTICALS LTD","supplierCountry":"NEW ZEALAND","foreign_port":"AUCKLAND","customer":"TITAN BIOTECH","customerCountry":"INDIA","quantity":"100.00","actualQuantity":"100","unit":"KGS","unitRateFc":"297","totalValueFC":"30017.5","currency":"USD","unitRateINR":"25066.8","date":"30-Apr-2024","totalValueINR":"2506680","totalValueInUsd":"30017.5","indian_port":"Delhi Air","hs_no":"29181990","bill_no":"3279975","productDescription":"API","marketType":"REGULATED MARKET","country":"NEW ZEALAND","selfForZScoreResived":"Pharma Grade","supplierPort":"AUCKLAND","supplierAddress":"68, WELD STREET,RD2, PALMERSTON NORTH 4472,SDNF NEW ZEALAND","customerAddress":"A-902A, RIICO INDUSTRIAL AREA"}]
    22-Dec-2022
    30-Apr-2024
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