Please Wait
Applying Filters...
menu
    • menu
    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    Virtual Booth

    Contact Supplier

    Kikkoman Biochemifa Company advances global health and safety through precision-driven innovation in biotech and food testing.

    Virtual Booth

    Contact Supplier

    Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

    Virtual Booth

    Contact Supplier

    TransoPharm USA works in the Sourcing and Management of Active Pharmaceutical Ingredients.

    Virtual Booth

    Contact Supplier

    Moehs Group, a reference company in the production of pharmaceutical active ingredients.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-10-20

    Virtual Booth

    An Enquiry

    Menu

    5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile (2R,3R)-2,3-dih

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 239463-85-5, 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dihydroxybutanedioate, 3-[5-[(2r)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate;(2r,3r)-2,3-dihydroxybutanedioic acid, 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile(2r,3r)-2,3-dihydroxybutanendioate, 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dih, 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-7-carbonitrile-1h-indole(2r,3r)-2,3-dihydroxybutanedioat
    Molecular Formula
    C26H31N3O8
    Molecular Weight
    513.5  g/mol
    InChI Key
    KYUCVOVGODORNE-NUFNRNBZSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[5-[(2R)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl benzoate;(2R,3R)-2,3-dihydroxybutanedioic acid
    2.1.2 InChI
    InChI=1S/C22H25N3O2.C4H6O6/c1-16(24)12-17-13-19-8-10-25(21(19)20(14-17)15-23)9-5-11-27-22(26)18-6-3-2-4-7-18;5-1(3(7)8)2(6)4(9)10/h2-4,6-7,13-14,16H,5,8-12,24H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m11/s1
    2.1.3 InChI Key
    KYUCVOVGODORNE-NUFNRNBZSA-N
    2.1.4 Canonical SMILES
    CC(CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOC(=O)C3=CC=CC=C3)N.C(C(C(=O)O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    C[C@H](CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOC(=O)C3=CC=CC=C3)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 239463-85-5

    2. 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dihydroxybutanedioate

    3. 3-[5-[(2r)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl Benzoate;(2r,3r)-2,3-dihydroxybutanedioic Acid

    4. 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile(2r,3r)-2,3-dihydroxybutanendioate

    5. 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dih

    6. 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-7-carbonitrile-1h-indole(2r,3r)-2,3-dihydroxybutanedioat

    7. (r)-3-(5-(2-aminopropyl)-7-cyanoindolin-1-yl)propyl-benzoate (2r,3r)-2,3-dihydroxysuccinate

    8. Schembl6595413

    9. Dtxsid00668240

    10. Cs-m1430

    11. Mfcd16038449

    12. Akos015895766

    13. 3-[5-[(2r)-2-aminopropyl]-7-cyano-2,3-dihydroindol-1-yl]propyl Benzoate,(2r,3r)-2,3-dihydroxybutanedioic Acid

    14. Ds-17904

    15. Am20090776

    16. 463a855

    17. A817002

    18. J-516580

    19. (r)-3-(5-(2-aminopropyl)-7-cyanoindolin-1-yl)propylbenzoate(2r,3r)-2,3-dihydroxysuccinate

    20. (r)-3-[5-(2-aminopropyl)-7-cyano-2,3-dihydro-1h-indol-1-yl]propyl Benzoate L-tartrate

    21. (2r,3r)-2,3-dihydroxybutanedioic Acid--3-{5-[(2r)-2-aminopropyl]-7-cyano-2,3-dihydro-1h-indol-1-yl}propyl Benzoate (1/1)

    22. 1h-indole-7-carbonitrile, 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-, (2r,3r)-2,3-dihydroxybutanedioate (1:1)

    23. 5-[(2r)-2-aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile(2r,3r)-2,3-dihydroxybutanedioate

    2.3 Create Date
    2010-04-16
    3 Chemical and Physical Properties
    Molecular Weight 513.5 g/mol
    Molecular Formula C26H31N3O8
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count11
    Exact Mass513.21111496 g/mol
    Monoisotopic Mass513.21111496 g/mol
    Topological Polar Surface Area194 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity671
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2