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21500-98-1 分子结构
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1-[1-(thiophen-2-yl)cyclohexyl]piperidine

ChemBase编号:1307
分子式:C15H23NS
平均质量:249.41482
单一同位素质量:249.15512074
SMILES和InChIs

SMILES:
s1c(C2(N3CCCCC3)CCCCC2)ccc1
Canonical SMILES:
C1CCN(CC1)C1(CCCCC1)c1cccs1
InChI:
InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2
InChIKey:
JUZZEWSCNBCFRL-UHFFFAOYSA-N

引用这个纪录

CBID:1307 http://www.chembase.cn/molecule-1307.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
1-[1-(thiophen-2-yl)cyclohexyl]piperidine
IUPAC传统名
tenocyclidine
别名
TCP
Tenocyclidine
CAS号
21500-98-1
PubChem SID
160964767
46505124
PubChem CID
62751

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
DrugBank DB01520 external link
PubChem 62751 external link
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) 0.91516256  LogD (pH = 7.4) 1.4914384 
Log P 4.4009295  摩尔折射率 74.5364 cm3
极化性 29.313116 Å3 极化表面积 3.24 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 5.04  LOG S -3.9 
溶解度 3.13e-02 g/l 

分子性质

分子性质

生物活性(PubChem)

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB01520 external link
Item Information
Drug Groups illicit; experimental
Description Tenocyclidine (TCP, thienyl cyclohexylpiperidine) is a dissociative anesthetic drug with stimulant and hallucinogenic effects. It is similar in effects to phencyclidine but is considerably more potent. Due to its similarity in effects to PCP, TCP was placed into the Schedule I list of illegal drugs in the 1970s, although it was only briefly abused in the 1970s and 1980s and is now little known. [Wikipedia]
Indication Because of its high affinity for the phencyclidine binding site on the NMDA receptor, the 3H radiolabelled form of tenocyclidine is widely used in research into NMDA receptors.
Pharmacology Tenocyclidine (TCP) has slightly different binding properties to phencyclidine (PCP), with more affinity for NMDA receptors but less affinity for sigma receptors.
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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互联网资源

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