Free Chemical Databases



  • [Synonyms]
    Polycarpine hydrochloride
    NSC637467
    AIDS013384
    AIDS-013384
    Disulfide, bis[2-amino-4-(4-methoxyphenyl)-1-methyl- 1H-imidazol-5-yl], dihydrochloride
    175669-17-7
    4,4'-Dithiobis[5-(4-methoxyphenyl)-3-methyl-1,3-dihydro-2H-imidazol-2-imine] hydrochloride

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight505.0559 [g/mol]
    Molecular FormulaC22H25ClN6O2S2
    H-Bond Donor3
    H-Bond Acceptor8
    Rotatable Bond Count7
    Tautomer Count3
    Exact Mass504.116893
    MonoIsotopic Mass504.116893
    Topological Polar Surface Area106
    Heavy Atom Count33
    Formal Charge0
    Complexity541
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: 5-[2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-yl]disulfanyl-4-(4-
    methoxyphenyl)-1-methylimidazol-2-amine hydrochloride
    Canonical SMILES: CN1C(=C(N=C1N)C2=CC=C(C=C2)OC)SSC3=C(N=C(N3C)N)C4=CC=C(C=C4)OC.Cl
    InChI: InChI=1/C22H24N6O2S2.ClH/c1-27-19(17(25-21(27)23)13-5-9-15(29-3)10-6-13)
    31-32-20-18(26-22(24)28(20)2)14-7-11-16(30-4)12-8-14;/h5-12H,1-4H3,(H2,
    23,25)(H2,24,26);1H/f/h23-24H2;



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