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25905-77-5 分子结构
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4-methyl-N-[2-(morpholin-4-yl)ethyl]-6-phenylpyridazin-3-amine

ChemBase编号:684
分子式:C17H22N4O
平均质量:298.38278
单一同位素质量:298.17936134
SMILES和InChIs

SMILES:
O1CCN(CC1)CCNc1nnc(cc1C)c1ccccc1
Canonical SMILES:
Cc1cc(nnc1NCCN1CCOCC1)c1ccccc1
InChI:
InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
InChIKey:
LDMWSLGGVTVJPG-UHFFFAOYSA-N

引用这个纪录

CBID:684 http://www.chembase.cn/molecule-684.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
4-methyl-N-[2-(morpholin-4-yl)ethyl]-6-phenylpyridazin-3-amine
IUPAC传统名
minaprine
商标名
Brantur
Cantor
别名
Minaprine Hydrochloride
Minaprine Dihydrochloride
Minaprina [INN-Spanish]
Minaprinum [INN-Latin]
Minaprine
CAS号
25905-77-5
PubChem SID
46505380
160964147
PubChem CID
4199
ATC码
N06AX07
CHEMBL
278819
Chemspider ID
4054
KEGG ID
D05039
美国药典/FDA物质标识码
00U7GX0NLM
维基百科标题
Minaprine

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
Acid pKa 19.25459  质子受体
质子供体 LogD (pH = 5.5) 1.3438344 
LogD (pH = 7.4) 2.1580982  Log P 2.1896803 
摩尔折射率 91.1707 cm3 极化性 34.957195 Å3
极化表面积 50.28 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 2.15  LOG S -3.63 
溶解度 7.01e-02 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
2360 mg/L expand 查看数据来源
疏水性(logP)
2 expand 查看数据来源
给药途径
Oral expand 查看数据来源
半衰期
2-2.5 hours expand 查看数据来源
法定药品分级
Rx-only expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia
DrugBank -  DB00805 external link
Item Information
Drug Groups approved
Description Minaprine is a psychotropic drug which has proved to be effective in the treatment of various depressive states. Like most antidepressants minaprine antagonizes behavioral despair. Minaprine is an amino-phenylpyridazine antidepressant reported to be relatively free of cardiotoxicity, drowsiness, and weight gain.
Indication For the treatment of depression
Pharmacology Minaprine is an amino-phenylpyridazine antidepressant reported to be relatively free of cardiotoxicity, drowsiness, and weight gain. Similar to other antidepressant treatments, minaprine attenuates the beta-adrenergic receptor function. Studies have also shown that minaprine improves memory consolidation and that repeated drug administration leads to potentiation of this effect. Moreover, the effects of minaprine on memory consolidation are related to its dopaminergic action.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic. Cytochrome P4502D is responsible for the 4-hydroxylation of minaprine to 4-hydroxyminaprine.

参考文献

参考文献

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专利

专利

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