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    CAS 59467-64-0

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 59467-64-0, 1216629-00-3, Midazolam amino compound, [7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1h-1,4-benzodiazepin-2-yl]methanamine, S9jc45zv43, 1h-1,4-benzodiazepine-2-methanamine, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-
    Molecular Formula
    C16H15ClFN3
    Molecular Weight
    303.76  g/mol
    InChI Key
    LSQOUBKWMBDIPL-UHFFFAOYSA-N
    FDA UNII
    S9JC45ZV43
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methanamine
    2.1.2 InChI
    InChI=1S/C16H15ClFN3/c17-10-5-6-15-13(7-10)16(20-9-11(8-19)21-15)12-3-1-2-4-14(12)18/h1-7,11,21H,8-9,19H2
    2.1.3 InChI Key
    LSQOUBKWMBDIPL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C(NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CN
    2.2 Other Identifiers
    2.2.1 UNII
    S9JC45ZV43
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 59467-64-0

    2. 1216629-00-3

    3. Midazolam Amino Compound

    4. [7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1h-1,4-benzodiazepin-2-yl]methanamine

    5. S9jc45zv43

    6. 1h-1,4-benzodiazepine-2-methanamine, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-

    7. 2-aminomethyl-7-chloro-2,3-dihydro-5-(2-fluorophenyl)-1h-1,4-benzodiazepine

    8. ((2rs)-7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1h-1,4-benzodiazepin-2-yl)methanamine

    9. [(2rs)-7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1h-1,4-benzodiazepin-2-yl]methanamine

    10. Midazolam Impurity E [ep]

    11. Unii-s9jc45zv43

    12. Schembl3053148

    13. Dtxsid50974868

    14. Akos015889491

    15. Midazolam Impurity E [ep Impurity]

    16. Ft-0661903

    17. 467c640

    18. 1-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1h-1,4-benzodiazepin-2-yl]methanamine

    19. 2-aminomethyl-7 -chloro-2,3-dihydro-5-(2-fluorophenyl)-1h-1,4-benzodiazepine

    20. 2-aminomethyl-7-chloro-2,3-dihydro- 5-(2-fluorophenyl)-1h-1,4-benzodiazepine

    21. 2-aminomethyl-7-chloro-2,3-dihydro-5-(2-fluorophenyl)-1h-1,4-bezodiazepine

    22. 5-(2-fluorophenyl)-7-chloro-2,3-dihydro-1h-1,4-benzodiazepine-2-methanamine

    2.4 Create Date
    2007-02-12
    3 Chemical and Physical Properties
    Molecular Weight 303.76 g/mol
    Molecular Formula C16H15ClFN3
    XLogP32.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass303.0938533 g/mol
    Monoisotopic Mass303.0938533 g/mol
    Topological Polar Surface Area50.4 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity390
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1