Doxepin hydrochloride

Description

Potent H1-histamine receptor antagonist and a 5-HT receptor antagonist | CAS: 1229-29-4 | C19H22ClNO | 315.841 g/mol

It is a highly potent H1 histamine receptor antagonist (Kd = 310 pM) and tricyclic antidepressant that inhibits the reuptake of serotonin and norepinephrine and acts as an antagonist at histamine, serotonin, adrenergic, and muscarinic receptors with Ki values in the nanomolar range. Also binds to the H4 histamine receptor (pKi = 6.79). Used clinically to treat anxiety and depression.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
It is a highly potent H1 histamine receptor antagonist (Kd = 310 pM) and tricyclic antidepressant that inhibits the reuptake of serotonin and norepinephrine and acts as an antagonist at histamine, serotonin, adrenergic, and muscarinic receptors with Ki values in the nanomolar range. Also binds to the H4 histamine receptor (pKi = 6.79). Used clinically to treat anxiety and depression.

Solubility
Soluble in water (100 mM), chloroform (1:2), alcohol (1:1), methanol, and DMSO.

Notes
Store away from oxidizing agents. Keep the container tightly closed and place it in a cool, dry and well ventilated condition.

Specifications

Chemical Identifiers

• CAS: 1229-29-4
• Molecular Formula: C19H22ClNO
• Molecular Weight (g/mol): 315.841
• MDL Number: MFCD00079135
• InChI Key: MHNSPTUQQIYJOT-SJDTYFKWSA-N
• Synonym: doxepin hydrochloride, novoxapin, aponal, toruan, curatin, sinequan, zonalon, adapin, doxepine hydrochloride, novoxapin hydrochloride
• PubChem CID: 6419921
• IUPAC Name: (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

• Melting Point: 187°C to 189°C
• Color: White
• Quantity: 25 g
• UN Number: UN2811
• Merck Index: 14,3435
• Solubility Information: Soluble in water (100 mM),chloroform (1:2),alcohol (1:1),methanol,and DMSO.
• Formula Weight: 315.84
• Physical Form: Powder
• Chemical Name or Material: Doxepin hydrochloride

Safety and Handling

Hazard Category	H301-H361
Hazard Statement	GHS H Statement H301-H361 Toxic if swallowed. Suspected of damaging fertility or the unborn child.
Precautionary Statement	P201-P202-P264b-P270-P281-P301+P310-P308+P313-P330-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: TOXIC SOLIDS, ORGANIC, N.O.S.
EINECSNumber	214-966-8
RTECSNumber	HQ4375000
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only