9012-69-5 Purity
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Specification
Four histamine antagonists: thenyldiamine hydrochloride, mepyramine hydrochloride, thenyldiamine hydrochloride and pyrphenazamine hydrochloride were tested for their carcinogenicity in rats by continuous use in drinking water. Only thenyldiamine hydrochloride showed significant carcinogenicity, inducing liver tumors in a dose-related pattern. Analogs without a thiophene ring (mepyramine, pyrphenazamine) did not show tumor effects under the experimental conditions.
The compounds tested were of commercial grade. Their identity and purity were checked by thin layer chromatography, UV and IR spectroscopy. Since the compound is to be added to drinking water, stock solutions have to be prepared freshly every week, so its stability in aqueous solution was tested under the conditions of use. After 7 days, no signs of degradation were found by UV spectroscopy or thin layer chromatography. Male and female outbred specific pathogen-free Sprague-Dawley rats were used. They were approximately 160 days old at the start of the experiments. The rats were stratified by sex and randomly assigned to the individual experimental groups, each consisting of 50 animals. Final solutions of the test compounds were prepared fresh daily; each rat was injected 5 times per week (Monday to Friday) with 20 ml each time. Tap water was given ad libitum on Saturdays and water was available on Sundays at 1 am. Control animals received tap water only. An adaptation period of the first 4 weeks in which all rats received 500 ppm of the respective solution (mepyrilamine: 550 ppm) was considered. Thereafter, the concentration of the test compound was doubled for half of the animals. The approximate dose given per animal per week was calculated based on the amount of solution provided minus the remaining solution weighed before each refill.
The molecular formula of Thenyldiamine Hydrochloride is C14H19N3S.ClHC14H20ClN3S.
The molecular weight of Thenyldiamine Hydrochloride is 297.8 g/mol.
The IUPAC name of Thenyldiamine Hydrochloride is N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride.
The InChIKey of Thenyldiamine Hydrochloride is OQWLDKFPOJCKBX-UHFFFAOYSA-N.
The CAS number of Thenyldiamine Hydrochloride is 958-93-0.
Thenyldiamine Hydrochloride is a white powder with a bitter taste. It has a melting point of 169.5-170 °C.
Thenyldiamine Hydrochloride is used as an antihistamine.
Thenyldiamine Hydrochloride has 1 hydrogen bond donor count.
Thenyldiamine Hydrochloride has 4 hydrogen bond acceptor counts.
Thenyldiamine Hydrochloride has 6 rotatable bond counts.