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

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    Bedoradrine

    APIs // Active Pharmaceutical Ingredients

    DIGITAL CONTENT

    PharmaCompass

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

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    2D Structure
    1. Also known as: Schembl3694818
    Molecular Formula
    C24H34N2O9S
    Molecular Weight
    526.6  g/mol
    InChI Key
    BIBSCYWSUFOPGZ-WCRWPNQISA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[(7S)-7-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide;sulfuric acid
    2.1.2 InChI
    InChI=1S/C24H32N2O5.H2O4S/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27;1-5(2,3)4/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3;(H2,1,2,3,4)/t20-,23-;/m0./s1
    2.1.3 InChI Key
    BIBSCYWSUFOPGZ-WCRWPNQISA-N
    2.1.4 Canonical SMILES
    CN(C)C(=O)COC1=CC2=C(CCC(C2)NCC(C3=CC(=C(C=C3)O)CCO)O)C=C1.OS(=O)(=O)O
    2.1.5 Isomeric SMILES
    CN(C)C(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@@H](C3=CC(=C(C=C3)O)CCO)O)C=C1.OS(=O)(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl3694818

    2.3 Create Date
    2009-08-20
    3 Chemical and Physical Properties
    Molecular Weight 526.6 g/mol
    Molecular Formula C24H34N2O9S
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count9
    Exact Mass526.19850184 g/mol
    Monoisotopic Mass526.19850184 g/mol
    Topological Polar Surface Area185 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity641
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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