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    Technical details about CAS 156755-35-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 156755-35-0

    Manufacturers/Suppliers

    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: 156755-35-0, Benzoic acid,3-[(1r)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)-,methyl ester, Schembl1354912, Zinc34556801, Akos015901566, Ac-23941
    Molecular Formula
    C30H37NO3
    Molecular Weight
    459.6  g/mol
    InChI Key
    YRJYQILAWNHFTB-HHHXNRCGSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxybenzoate
    2.1.2 InChI
    InChI=1S/C30H37NO3/c1-22(2)31(23(3)4)19-18-27(25-14-10-7-11-15-25)28-20-26(30(32)33-5)16-17-29(28)34-21-24-12-8-6-9-13-24/h6-17,20,22-23,27H,18-19,21H2,1-5H3/t27-/m1/s1
    2.1.3 InChI Key
    YRJYQILAWNHFTB-HHHXNRCGSA-N
    2.1.4 Canonical SMILES
    CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)OC)OCC3=CC=CC=C3)C(C)C
    2.1.5 Isomeric SMILES
    CC(C)N(CC[C@H](C1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)OC)OCC3=CC=CC=C3)C(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 156755-35-0

    2. Benzoic Acid,3-[(1r)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)-,methyl Ester

    3. Schembl1354912

    4. Zinc34556801

    5. Akos015901566

    6. Ac-23941

    7. Cs-14151

    8. 755b350

    9. Methyl (r)-4-benzyloxy-3-(3-diisopropylamino-1-phenylpropyl)-benzoate

    10. Methyl(r)-4-benzyloxy-3-(3-diisopropylamino-1-phenylpropyl)-benzoate

    11. 3-[(1r)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)-benzoic Acid Methyl Ester

    12. 3-[(1r)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)-benzoicacid Methylester

    13. 3-[(1r)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)-benzoicacidmethylester

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 459.6 g/mol
    Molecular Formula C30H37NO3
    XLogP36.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count12
    Exact Mass459.27734404 g/mol
    Monoisotopic Mass459.27734404 g/mol
    Topological Polar Surface Area38.8 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity572
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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