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    Rilmazafone Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 85815-37-8, Rilmazafone hcl, 25t258x8bv, 450191-s, 5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-n,n-dimethyl-1,2,4-triazole-3-carboxamide;hydrochloride, Unii-25t258x8bv
    Molecular Formula
    C21H21Cl3N6O3
    Molecular Weight
    511.8  g/mol
    InChI Key
    KHINGHZNENOVFD-UHFFFAOYSA-N
    FDA UNII
    25T258X8BV
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C21H20Cl2N6O3.ClH/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23;/h3-9H,10-11,24H2,1-2H3,(H,25,30);1H
    2.1.3 InChI Key
    KHINGHZNENOVFD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    25T258X8BV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(2-(2-chlorobenzoyl)-4-chlorophenyl)-5-glycylaminomethyl-3-dimethylaminocarbonyl-1h-1,2,4-triazole Hydrochloride

    2. 450191-s

    3. Rilmazafone

    4. S 450191

    5. S-450191

    2.3.2 Depositor-Supplied Synonyms

    1. 85815-37-8

    2. Rilmazafone Hcl

    3. 25t258x8bv

    4. 450191-s

    5. 5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-n,n-dimethyl-1,2,4-triazole-3-carboxamide;hydrochloride

    6. Unii-25t258x8bv

    7. Ccris 1929

    8. Rilmazafone Hydrochloride [jan]

    9. Rilmazafonehydrochloride

    10. 450191s

    11. Schembl409409

    12. Dtxsid80235095

    13. Hy-u00228

    14. Cs-7384

    15. Rilmazafone Hydrochloride [mart.]

    16. 1h-1,2,4-triazole-3-carboxamide, 5-(((aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-n,n-dimethyl-, Monohydrochloride, Dihydrate

    17. Rilmazafone Hydrochloride [who-dd]

    18. Rilmazafone Hydrochloride Anhydrous

    19. Q27253998

    20. 5-(((2-aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-n,n-dimethyl-1h-1,2,4-triazole-3-carboxamide Hydrochloride

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 511.8 g/mol
    Molecular Formula C21H21Cl3N6O3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass510.074072 g/mol
    Monoisotopic Mass510.074072 g/mol
    Topological Polar Surface Area123 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity696
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Hypnotics and Sedatives

    Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. (See all compounds classified as Hypnotics and Sedatives.)