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Properties of substance:

theophylline



skc-file

Group of substances:

organic

Physical appearance:

monoclinic crystals

Empirical formula (Hill's system for organic substances):

C7H8N4O2

Molar/atomic mass: 180.164

Melting point (°C):

264

Solubility (g/100 g of solvent):

diethyl ether: difficulty soluble [Ref.]
ethanol: 1.58 (20°C) [Ref.]
water: 0.44 (15°C) [Ref.]
water: 1.3 (37°C) [Ref.]

    Dissociation:

    pKa (1) = 8.77 (25°C, water)

    LD50 (mg/kg):

    225 (rats, oral)
    235 (mice, oral)
    136 (mice, intravenous)

    References:

    1. Kleemann A. Pharmaceutical Substances. - 2000. - pp. 2011-2012
    2. Seidell A. Solubilities of organic compounds. - 3ed., vol.2. - New York: D. Van Nostrand Company, 1941. - pp. 552
    3. Yalkowsky S.H., Yan H. Handbook of aqueous solubility data. - CRC Press, 2003. - pp. 394-395
    4. Руководство к лабораторным занятиям по фармацевтической химии. - Под ред. Арзамасцева А.П. - М.: Медицина, 1987. - pp. 229 [Russian]
    5. Справочник химика. - Т. 2. - Л.-М.: Химия, 1964. - pp. 964-965 [Russian]
    6. Химический энциклопедический словарь. - Под ред. Кнунянц И.Л. - М.: Советская энциклопедия, 1983. - pp. 562 [Russian]
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      © Collected Ruslan Anatolievich Kiper, burewestnik@mail.ru