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    HMCLAGFKTYIJCB-YHJOQWEYSA-N manufacturers and suppliers on PharmaCompass

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    HMCLAGFKTYIJCB-YHJOQWEYSA-N

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    HMCLAGFKTYIJCB-YHJOQWEYSA-N
    Also known as: Chembl2131388, Chebi:127180, Brd-k27064849-001-01-3, Q27219525
    Molecular Formula
    C36H39F3N4O4
    Molecular Weight
    648.7  g/mol
    InChI Key
    HMCLAGFKTYIJCB-YHJOQWEYSA-N
    1 2D Structure

    HMCLAGFKTYIJCB-YHJOQWEYSA-N

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-naphthalen-1-ylurea
    2.1.2 InChI
    InChI=1S/C36H39F3N4O4/c1-23-19-43(24(2)22-44)34(45)18-27-17-29(40-35(46)41-31-10-6-8-26-7-4-5-9-30(26)31)15-16-32(27)47-33(23)21-42(3)20-25-11-13-28(14-12-25)36(37,38)39/h4-17,23-24,33,44H,18-22H2,1-3H3,(H2,40,41,46)/t23-,24-,33+/m0/s1
    2.1.3 InChI Key
    HMCLAGFKTYIJCB-YHJOQWEYSA-N
    2.1.4 Canonical SMILES
    CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)OC1CN(C)CC5=CC=C(C=C5)C(F)(F)F)C(C)CO
    2.1.5 Isomeric SMILES
    C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@@H]1CN(C)CC5=CC=C(C=C5)C(F)(F)F)[C@@H](C)CO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Chembl2131388

    2. Chebi:127180

    3. Brd-k27064849-001-01-3

    4. Q27219525

    2.3 Create Date
    2009-12-18
    3 Chemical and Physical Properties
    Molecular Weight 648.7 g/mol
    Molecular Formula C36H39F3N4O4
    XLogP35.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass648.29234022 g/mol
    Monoisotopic Mass648.29234022 g/mol
    Topological Polar Surface Area94.1 Ų
    Heavy Atom Count47
    Formal Charge0
    Complexity1020
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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                      Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...
                      Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.
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                        Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.
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