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    CAS 203515-86-0

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 203515-86-0, 5-amino-n1,n3-bis(2,3-dihydroxypropyl)isophthalamide hydrochloride, 5-amino-n,n'-bis(2,3-dihydroxypropyl)isophthalamide hcl, Wb6qxv6056, 5-amino-1-n,3-n-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;hydrochloride, 1,3-benzenedicarboxamide, 5-amino-n1,n3-bis(2,3-dihydroxypropyl)-, hydrochloride (1:1)
    Molecular Formula
    C14H22ClN3O6
    Molecular Weight
    363.79  g/mol
    InChI Key
    GNBBCFFLJFKAHB-UHFFFAOYSA-N
    FDA UNII
    WB6QXV6056
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-amino-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H21N3O6.ClH/c15-10-2-8(13(22)16-4-11(20)6-18)1-9(3-10)14(23)17-5-12(21)7-19;/h1-3,11-12,18-21H,4-7,15H2,(H,16,22)(H,17,23);1H
    2.1.3 InChI Key
    GNBBCFFLJFKAHB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C=C1C(=O)NCC(CO)O)N)C(=O)NCC(CO)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    WB6QXV6056
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 203515-86-0

    2. 5-amino-n1,n3-bis(2,3-dihydroxypropyl)isophthalamide Hydrochloride

    3. 5-amino-n,n'-bis(2,3-dihydroxypropyl)isophthalamide Hcl

    4. Wb6qxv6056

    5. 5-amino-1-n,3-n-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;hydrochloride

    6. 1,3-benzenedicarboxamide, 5-amino-n1,n3-bis(2,3-dihydroxypropyl)-, Hydrochloride (1:1)

    7. 5-amino-n,n'-bis-(2,3-dihydroxy-1-propyl)isophthalamide Hydrochloride

    8. Unii-wb6qxv6056

    9. Schembl1116045

    10. Dtxsid70659822

    11. Mfcd00137747

    12. Akos015964397

    13. Ac-18320

    14. As-47728

    15. Cs-0085390

    16. F15893

    17. 5-amino-n,n'-bis-(2,3-dihydroxy-propyl)-isophthalamide

    18. 5-amino-1-n,3-n-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide,hydrochloride

    19. 5-amino-n1,n3-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide Hydrogen Chloride (1/1)

    2.4 Create Date
    2010-03-02
    3 Chemical and Physical Properties
    Molecular Weight 363.79 g/mol
    Molecular Formula C14H22ClN3O6
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass363.1197131 g/mol
    Monoisotopic Mass363.1197131 g/mol
    Topological Polar Surface Area165 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity361
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2