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    Technical details about Aqualose, learn more about the structure, uses, toxicity, action, side effects and more

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    Aqualose

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 27321-96-6, 2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]ethanol, 30788-35-3, Schembl16788226, Dtxsid20927104, 2-(cholest-5-en-3-yloxy)ethanol
    Molecular Formula
    C29H50O2
    Molecular Weight
    430.7  g/mol
    InChI Key
    NPYXBHZQVNRAOF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethanol
    2.1.2 InChI
    InChI=1S/C29H50O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,20-21,23-27,30H,6-8,10-19H2,1-5H3
    2.1.3 InChI Key
    NPYXBHZQVNRAOF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCO)C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 27321-96-6

    2. 2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]ethanol

    3. 30788-35-3

    4. Schembl16788226

    5. Dtxsid20927104

    6. 2-(cholest-5-en-3-yloxy)ethanol

    7. Cl-4494

    8. Nsc226875

    9. Akos024434643

    10. Nsc-226875

    11. Poly(oxy-1,2-ethanediyl), .alpha.-(3.beta.)-cholest-5-en-3-yl-.omega.-hydroxy-

    12. 2-[(cholest-5-en-3-yl)oxy]ethan-1-ol

    13. 131175-15-0

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 430.7 g/mol
    Molecular Formula C29H50O2
    XLogP38.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count8
    Exact Mass430.381080833 g/mol
    Monoisotopic Mass430.381080833 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity639
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count8
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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