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    DPM-1001

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 427Xls

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    2D Structure
    Also known as: Dpm-1001, 1471172-27-6, Methyl (4r)-4-[(3r,5r,7r,8r,9s,10s,13r,14s,17r)-7-hydroxy-10,13-dimethyl-3-[4-(pyridin-2-ylmethylamino)butylamino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoate, Hy-121515, Cs-0082256
    Molecular Formula
    C35H57N3O3
    Molecular Weight
    567.8  g/mol
    InChI Key
    RVANDQULNPITCN-MCVYBXALSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-[4-(pyridin-2-ylmethylamino)butylamino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
    2.1.2 InChI
    InChI=1S/C35H57N3O3/c1-24(10-13-32(40)41-4)28-11-12-29-33-30(15-17-35(28,29)3)34(2)16-14-26(21-25(34)22-31(33)39)37-20-8-7-18-36-23-27-9-5-6-19-38-27/h5-6,9,19,24-26,28-31,33,36-37,39H,7-8,10-18,20-23H2,1-4H3/t24-,25-,26-,28-,29+,30+,31-,33+,34+,35-/m1/s1
    2.1.3 InChI Key
    RVANDQULNPITCN-MCVYBXALSA-N
    2.1.4 Canonical SMILES
    CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)NCCCCNCC5=CC=CC=N5)C)O)C
    2.1.5 Isomeric SMILES
    C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)NCCCCNCC5=CC=CC=N5)C)O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Dpm-1001

    2. 1471172-27-6

    3. Methyl (4r)-4-[(3r,5r,7r,8r,9s,10s,13r,14s,17r)-7-hydroxy-10,13-dimethyl-3-[4-(pyridin-2-ylmethylamino)butylamino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoate

    4. Hy-121515

    5. Cs-0082256

    2.3 Create Date
    2019-10-31
    3 Chemical and Physical Properties
    Molecular Weight 567.8 g/mol
    Molecular Formula C35H57N3O3
    XLogP36.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count13
    Exact Mass567.43999269 g/mol
    Monoisotopic Mass567.43999269 g/mol
    Topological Polar Surface Area83.5 Ų
    Heavy Atom Count41
    Formal Charge0
    Complexity855
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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