ドキセピン

ドキセピン · 3-[ジベンゾ[b,e]オキセピン-11(6H)-イリデン]-N,N-ジメチル-1-プロパンアミン · N,N-ジメチル-3-(6,11-ジヒドロジベンゾ[b,e]オキセピン-11-イリデン)プロピルアミン · N,N-ジメチル-3-(6,11-ジヒドロジベンゾ[b,e]オキセピン-11-イリデン)プロパン-1-アミン · ジメチル(3-{9-オキサトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン-2-イリデン}プロピル)アミン · Doxepine · 3-(DIBENZO[B,E]OXEPIN-11(6H)-YLIDENE)-N,N-DIMETHYLPROPAN-1-AMINE · Aponal

https://huagongshe.com/ja/chemical/3158

識別子と物理属性

CAS No.	1668-19-5
分子式	C19H21NO
平均分子量	279.4 g/mol
単同位体質量	279.16231429 g/mol
SMILES	CN(C)CCC=C1c2ccccc2COc2ccccc21
InChIKey	ODQWQRRAPPTVAG-UHFFFAOYSA-N
PubChem CID	3158
ChEMBL	CHEMBL1628227
DTXSID	DTXSID7022966
現地名	ドキセピン

化学・物理的性質

XLogP	4.3
極性表面積	12.5
水素結合供与体数	0
水素結合受容体数	2
回転可能結合数	3
重原子数	21
形式電荷	0
複雑度	363
医薬品	DEA NFLIS-Drug Category -> Depressants and Tranquilizers
LogP（分配係数）	log Kow = 0.6743.75
臭い	ODORLESS
味	BITTER
Color/Form	OILY LIQUID CONSISTING OF A MIXTURE OF CIS- & TRANS- ISOMERS
溶解度	WHITE CRYSTALLINE SUBSTANCE1 G SOL IN 1 ML WATER, 2 ML ALCOHOL, 10 ML CHLOROFORM /HYDROCHLORIDE/In water, 31.57 mg/l at 25 °C.3.19e-02 g/L31.57mg/L(25℃)
Human Drugs	Breast FeedingLactationMilk, HumanAntidepressive AgentsAntidepressive Agents, Tricyclic
沸点	154-157 ºC at 0.03 mmHg154-157 °C @ 0.03 MM HGbp0.03 154-157°bp0.2 260-270°
Decomposition	When heated to decomposition it emits toxic fumes of nitroxides.
融点	185-191 ºCCrystals, melting point 184 to 186 °C, 188 to 189 °C (a cis-trans mixture of approx 1:5) /HYDROCHLORIDE/Crystals, melting point 161 to 164 °C, 168 to 169 °C /MALEATE/Melting point 192 to 193 °C /trans-HYDROCHLORIDE/Crystals, melting point 209 to 210.5 °C /cis-HYDROCHLORIDE/184 - 186 °C187-189°C
Physical Description	Solid
Stability/Shelf Life	DECOMP SLOWLY IN LIGHT, NONHYGROSCOPIC UP TO 75% RELATIVE HUMIDITY, RELATIVELY STABLE IN HEAT /HYDROCHLORIDE/
密度	1.0594 (rough estimate)
屈折率	1.5000 (estimate)
貯蔵条件	Sealed in dry,2-8°C
pKa（酸解離定数）	9.40±0.28(Predicted)
EPAの化学物質情報	Doxepin (1668-19-5)

安全性と法規制

健康影響
規制情報	Doxepin: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報	IMAP assessments - 1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-: Human health tier I assessment
FDA 要件	Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended21 U.S.C. 321-392).
保管条件	Doxepin hydrochloride capsules and oral concentrate should be protected from direct sunlight and stored in well-closed and tight, light-resistant containers, respectively, at a temperature between 15 and 30 °C. /Doxepin hydrochloride/
処分方法	SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Treatment	Obtain an ECG and immediately initiate cardiac monitoring. Protect the patient's airway, establish an intravenous line and initiate gastric decontamination. A minimum of six hours of observation with cardiac monitoring and observation for signs of CNS or respiratory depression, hypotension, cardiac dysrhythmias and/or conduction blocks, and seizures is strongly advised. If signs of toxicity occur at any time during this period, extended monitoring is recommended. (L1712)
相互作用	/DOXEPIN/...MAY...POTENTIATE THE DEPRESSANT EFFECT OF ALCOHOL. /HYDROCHLORIDE/INHIBITION OF THE ANTIHYPERTENSIVE EFFECT OF GUANETHIDINE CAN OCCUR WITH DOSES OF 200-300 MG/DAY. /HYDROCHLORIDE/DOXEPIN MAY POTENTIATE ORAL ANTICOAGULANTS, AMPHETAMINES, OTHER ANTICHOLINERGICS, MEPROBAMATE, PHENOTHIAZINES, THIOXANTHENE TRANQUILIZERS. DOXEPIN MAY ANTAGONIZE PROPRANOLOL /THEORETICALLY/, METHYLDOPA. DOXEPIN MAY BE ANTAGONIZED BY BARBITURATES. DOXEPIN MAY BE POTENTIATED BY THYROID PREPN.DOXEPIN MAY FORM HAZARDOUS COMBINATIONS WITH RESERPINE, ESTROGENS, PSYCHOTROPICS, MAO INHIBITORS, BENZODIAZEPINES.For more Interactions (Complete) data for DOXEPIN (28 total), please visit the HSDB record page.

用途

使用

Used clinically to treat anxiety and depression. Antidepressant