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438-60-8 分子结构
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methyl(3-{tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl}propyl)amine

ChemBase编号:228
分子式:C19H21N
平均质量:263.37674
单一同位素质量:263.16739968
SMILES和InChIs

SMILES:
N(CCCC1c2c(C=Cc3c1cccc3)cccc2)C
Canonical SMILES:
CNCCCC1c2ccccc2C=Cc2c1cccc2
InChI:
InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
InChIKey:
BWPIARFWQZKAIA-UHFFFAOYSA-N

引用这个纪录

CBID:228 http://www.chembase.cn/molecule-228.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
methyl(3-{tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl}propyl)amine
methyl(3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl}propyl)amine
IUPAC传统名
protriptyline
商标名
Amimetilina
Anafranil
Apo-Amitriptyline
Apo-Imipramine
Apo-Trimip
Asendin
Aventyl
Impril
Levate
Norpramin
Novo-Doxepin
Novo-Tripramine
Novopramine
Novotriptyn
Pertofrane
Rhotrimine
Sinequan
Surmontil
Tofranil
Triadapin 5
Triptil
Vivactil
别名
Protryptyline
Protriptyline
CAS号
438-60-8
PubChem SID
160963691
46505128
PubChem CID
4976
CHEBI ID
8597
ATC码
N06AA11
CHEMBL
668
Chemspider ID
4805
DrugBank ID
DB00344
美国药典/FDA物质标识码
4NDU154T12
维基百科标题
Protriptyline
Medline Plus
a604025

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格

理论计算性质

理论计算性质

JChem ALOGPS 2.1
质子受体 质子供体
LogD (pH = 5.5) 1.2615963  LogD (pH = 7.4) 1.6077064 
Log P 4.4968114  摩尔折射率 87.3034 cm3
极化性 33.573215 Å3 极化表面积 12.03 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 4.65  LOG S -6.06 
溶解度 2.31e-04 g/l 

分子性质

分子性质

理化性质 药理学性质 生物活性(PubChem)
溶解度
1.04 mg/L expand 查看数据来源
疏水性(logP)
4.7 expand 查看数据来源
给药途径
Oral expand 查看数据来源
排泄
Urine expand 查看数据来源
半衰期
54-92 hours expand 查看数据来源
代谢
Hepatic expand 查看数据来源
法定药品分级
Rx-only expand 查看数据来源
妊娠期药物分类
C (US) expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia
DrugBank -  DB00344 external link
Item Information
Drug Groups approved
Description Protriptyline hydrochloride is a dibenzocycloheptene-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, protriptyline does not affect mood or arousal, but may cause sedation. In depressed individuals, protriptyline exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. In addition, TCAs down-regulate cerebral cortical β-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine H1 receptors, α1-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Protriptyline may be used for the treatment of depression.
Indication For the treatment of depression.
Pharmacology Protriptyline is a tricyclic antidepressant. It was thought that tricyclic antidepressants work by inhibiting the reuptake of the neurotransmitters norepinephrine and serotonin by nerve cells. However, this response occurs immediately, yet mood does not lift for approximately two weeks. It is now thought that changes occur in receptor sensitivity in the cerebral cortex and hippocampus. The hippocampus is part of the limbic system, a part of the brain involved in emotions. Presynaptic receptors are affected: α1 and β1 receptors are sensitized, α2 receptors are desensitised (leading to increased noradrenaline production). Tricyclics are also known as effective analgesics for different types of pain, especially neuropathic or neuralgic pain. A precise mechanism for their analgesic action is unknown, but it is thought that they modulate anti-pain opioid systems in the CNS via an indirect serotonergic route. They are also effective in migraine prophylaxis, but not in abortion of acute migraine attack. The mechanism of their anti-migraine action is also thought to be serotonergic.
Toxicity Side effects include anxiety, blood disorders, confusion, decreased libido, dizziness, flushing, headache, impotence, insomnia, low blood pressure, nightmares, rapid or irregular heartbeat, rash, seizures, sensitivity to sunlight, stomach and intestinal discomfort, sedation, hypotension, blurred vision, dry mouth, constipation, urinary retention, postural hypotension, tachycardia, hypertension, ECG changes, heart failure, impaired memory and delirium, and precipitation of hypomanic or manic episodes in bipolar depression. Withdrawal symptoms include gastrointestinal disturbances, anxiety, and insomnia.
Affected Organisms
Humans and other mammals
Elimination Cumulative urinary excretion during 16 days accounted for approximately 50% of the drug. The fecal route of excretion did not seem to be important.
External Links
Wikipedia
PDRhealth
Drugs.com

参考文献

参考文献

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专利

专利

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