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24526-64-5 分子结构
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2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine

ChemBase编号:4365
分子式:C16H18N2
平均质量:238.32752
单一同位素质量:238.14699859
SMILES和InChIs

SMILES:
N1(CC(c2c(C1)c(N)ccc2)c1ccccc1)C
Canonical SMILES:
CN1CC(c2ccccc2)c2c(C1)c(N)ccc2
InChI:
InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
InChIKey:
XXPANQJNYNUNES-UHFFFAOYSA-N

引用这个纪录

CBID:4365 http://www.chembase.cn/molecule-4365.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
2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
IUPAC传统名
nomifensine
商标名
Linamiphen
Nomifenison
Merital
别名
(+)-nomifensine
(+)-nomiphensine
(+-)-nomifensin
(+-)-nomifensine
(R)-1,2,3,4-Tetrahydro-2-methyl-4-phenyl-8-isoquinolinamine
2-Methyl-4-phenyl-1,2,3,4-tetrahydro-8-isoquinolinamine
8-Amino-1,2,3,4-tetrahydro-2-methyl-4-phenylisochinolin
8-Amino-1,2,3,4-tetrahydro-2-methyl-4-phenylisoquinoline
8-Amino-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
Nomifensina [inn-spanish]
Nomifensine hydrogen maleate
Nomifensine maleate
Nomifensinum [inn-latin]
Nomifensin
Nomifensine
2-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CAS号
24526-64-5
PubChem SID
46505804
160967797
PubChem CID
4528

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
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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) -0.51397175  LogD (pH = 7.4) 1.1298963 
Log P 2.624382  摩尔折射率 77.1773 cm3
极化性 29.208132 Å3 极化表面积 29.26 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 2.94  LOG S -2.87 
溶解度 3.18e-01 g/l 

分子性质

分子性质

产品相关信息 生物活性(PubChem)
纯度
95+% expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB04821 external link
Item Information
Drug Groups withdrawn
Description Nomifensine, formerly marketed as Merital capsules, was associated with an increased incidence of hemolytic anemia. The approved application holder removed Merital capsules from the market on January 23, 1986. FDA published a notice of its determination that Merital capsules were removed from the market for safety reasons (see the Federal Register of June 17, 1986 (51 FR 21981)). Approval of the NDA for Merital capsules was withdrawn on March 20, 1992 (see the Federal Register of March 20, 1992 (57 FR 9729)). Also withdrawn from the Canadian and UK markets.
Pharmacology Nomifensine is a dopamine reuptake inhibitor test-marketed in the United States by Hoechst AG (now Novartis) that increases the amount of synaptic dopamine available to receptors by blocking dopamine's re-uptake transporter. Nomifensine is now mainly used in scientific research, particularly in studies involving dopamine release in response to addiction.
Toxicity A likely cause of nomifensine toxicity is the aromatic amine group, as compounds containing this chemical substructure are notorious for producing toxic metabolites.
Affected Organisms
Humans and other mammals
External Links
Wikipedia

参考文献

参考文献

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专利

专利

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