Doxepin Hydrochloride (mixture of isomers) TCI D4626

Chemical Identity

Other names: 11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo[b,e]oxepine Hydrochloride (mixture of isomers)
CAS No.: 1229-29-4
Formula: C19H21NO.HCl
Molecular weight: 315.84 g/mol
Purity: >98.0%(HPLC)(T)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
SMILES: CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl
InChIKey: MHNSPTUQQIYJOT-SJDTYFKWSA-N
MDL: MDL00079135
PubChem: CID 6419921

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TCI D4626 is Doxepin Hydrochloride (mixture of isomers), the hydrochloride salt form of doxepin — a dibenzoxepine compound known pharmacologically as a tricyclic antidepressant and a histamine H1 receptor antagonist. The product is supplied strictly as a reagent for pharmaceutical research and experimental laboratory use, and is not intended for human or animal consumption. In routine laboratory practice, this material serves as a reference compound during analytical method development, as a comparator ligand in receptor binding assays, and as a test substance in basic pharmacology research and research-scale formulation studies.

The properties that make the hydrochloride form a widely preferred choice begin with its solubility: it dissolves far more readily in water and polar solvents than the corresponding free base, which makes the preparation of stock solutions for chromatography and biological assays easier and more reproducible from one experiment to the next. The crystalline salt form is also generally simpler to weigh accurately and more stable during storage. Researchers should note that this product is a mixture of geometric isomers — a characteristic feature of doxepin — and must account for this when interpreting chromatographic and spectroscopic data, since each isomer may behave differently.

In Indonesian laboratories, this reagent fits the workflows of university pharmacy and pharmaceutical chemistry departments, analytical laboratories, and research institutions working on drug analysis. It is typically used where a defined reference material is needed to develop or verify an analytical procedure, to prepare calibration and comparison solutions, or to support fundamental pharmacological investigation. Its role is that of a research input within controlled experimental work, handled by trained personnel under standard laboratory conditions.

Analytical method development — provides a defined reference compound for building and verifying HPLC or other separation procedures, with good solubility in polar solvents simplifying the preparation of reproducible working solutions.
Receptor binding studies — serves as a comparator ligand in histamine H1 receptor binding experiments, drawing on doxepin's established pharmacological identity as an H1 receptor antagonist for reference purposes.
Basic pharmacology research — functions as a test substance in fundamental investigations of tricyclic antidepressant and antihistaminic activity, where a consistently supplied reagent-grade material is required for experimental work.
Research-scale formulation studies — the crystalline hydrochloride salt is straightforward to weigh and disperse, making it suitable as a model compound in laboratory-level formulation and solubility investigations.
Chromatographic and spectroscopic characterisation — the isomer mixture allows researchers to study and document the separation and spectral behaviour of geometric isomers, since each isomer may respond differently under analysis.

Brand	TCI (Tokyo Chemical Industry)
CAS number	1229-29-4
Molecular formula	—
Purity	—
Category	Life Science > Biochemicals and Reagents > Pharmaceutical Research Reagents (for Experimental Use)
Pack sizes	available in standard TCI research quantities — please contact us to confirm the pack size required
Physical form	crystalline hydrochloride salt (mixture of geometric isomers)
Storage	keep in the tightly closed original container under the conditions stated on the manufacturer's label

Product code: D4626

Store the material in its original tightly closed container, protected from moisture and direct light, and follow the storage conditions indicated on the manufacturer's label and safety data sheet. Amber glass or the supplied container is appropriate for keeping the crystalline salt dry, as hygroscopic uptake of water can affect accurate weighing. Handle the compound in a well-ventilated area or fume hood, using a laboratory coat, gloves, and eye protection, and avoid generating or inhaling dust while weighing. Prepare stock solutions in clean, clearly labelled vessels and record the date of preparation. Because this is a pharmacologically active research reagent, restrict access to trained personnel, keep it separated from food and beverages, and dispose of residues and contaminated consumables in accordance with local chemical waste regulations and your institution's laboratory safety procedures.

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