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316-81-4 分子结构
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N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine-2-sulfonamide

ChemBase编号:1398
分子式:C22H30N4O2S2
平均质量:446.6292
单一同位素质量:446.18101822
SMILES和InChIs

SMILES:
S1c2c(N(CCCN3CCN(CC3)C)c3c1cccc3)cc(S(=O)(=O)N(C)C)cc2
Canonical SMILES:
CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C
InChI:
InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3
InChIKey:
VZYCZNZBPPHOFY-UHFFFAOYSA-N

引用这个纪录

CBID:1398 http://www.chembase.cn/molecule-1398.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
N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine-2-sulfonamide
IUPAC传统名
thioproperazine
商标名
Vontil
Sulfenazin
Megeptil
Mazeptyl
Mazeptil
Majeptyl
Cephalmin
别名
Tioproferazina [inn-spanish]
Thiproperazine
Thioproperazinum [inn-latin]
Thioproperazin
Thioperazine
Thioproperazine
CAS号
316-81-4
PubChem SID
160964858
46507111
PubChem CID
9429
CHEBI ID
59120
ATC码
N05AB08
CHEMBL
609109
Chemspider ID
9058
DrugBank ID
DB01622
KEGG ID
D08585
维基百科标题
Thioproperazine

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) 0.055762142  LogD (pH = 7.4) 1.823456 
Log P 2.831458  摩尔折射率 126.9529 cm3
极化性 49.376232 Å3 极化表面积 47.1 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 3.09  LOG S -3.89 
溶解度 5.69e-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 Wikipedia Wikipedia
DrugBank -  DB01622 external link
Item Information
Drug Groups approved
Description Thioproperazine is a potent neuroleptic with antipsychotic properties. Thioproperazine has a marked cataleptic and antiapomorphine activity associated with relatively slight sedative, hypothermic and spasmolytic effects. It is virtually without antiserotonin and hypotensive action and has no antihistaminic property. It is used for the treatment of all types of acute and chronic schizophrenia, including those which did not respond to the usual neuroleptics; manic syndromes.
Overdosage may result in severe extrapyramidal symptoms with dysphagia, marked sialorrhea, persistent and rapidly increasing hyperthermia, pulmonary syndrome, state of shock with pallor and profuse sweating, which may be followed by collapse and coma. LD50 in mice is 70 mg/kg I.V., 120 mg/kg I.P., 500 mg/kg S.C. and 830 mg/kg P.O.
Indication For the treatment of all types of acute and chronic schizophrenia, including those which did not respond to the usual neuroleptics; manic syndromes.
Pharmacology Thioproperazine is a potent neuroleptic with antipsychotic properties. Thioproperazine has a marked cataleptic and antiapomorphine activity associated with relatively slight sedative, hypothermic and spasmolytic effects. It is virtually without antiserotonin and hypotensive action and has no antihistaminic property.
Toxicity Overdosage may result in severe extrapyramidal symptoms with dysphagia, marked sialorrhea, persistent and rapidly increasing hyperthermia, pulmonary syndrome, state of shock with pallor and profuse sweating, which may be followed by collapse and coma. LD50 in mice is 70 mg/kg I.V., 120 mg/kg I.P., 500 mg/kg S.C. and 830 mg/kg P.O.
Affected Organisms
Humans and other mammals

参考文献

参考文献

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专利

专利

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