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514-65-8 分子结构
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1-{bicyclo[2.2.1]hept-5-en-2-yl}-1-phenyl-3-(piperidin-1-yl)propan-1-ol

ChemBase编号:689
分子式:C21H29NO
平均质量:311.46106
单一同位素质量:311.22491455
SMILES和InChIs

SMILES:
OC(C1C2CC(C1)C=C2)(CCN1CCCCC1)c1ccccc1
Canonical SMILES:
OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1
InChI:
InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2
InChIKey:
YSXKPIUOCJLQIE-UHFFFAOYSA-N

引用这个纪录

CBID:689 http://www.chembase.cn/molecule-689.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-{bicyclo[2.2.1]hept-5-en-2-yl}-1-phenyl-3-(piperidin-1-yl)propan-1-ol
IUPAC传统名
biperiden
biperidene
商标名
Akineton
Akinophyl
别名
Biperiden [Usan:Ban:Inn:Jan]
Biperiden Hydrochloride
Biperidene Hydrochloride
Biperidene [INN-French]
Biperideno [INN-Spanish]
Biperidenum [INN-Latin]
Biperidine
Biperidine Hydrochloride
Beperiden
Biperiden
CAS号
514-65-8
PubChem SID
46508325
160964152
PubChem CID
2381
CHEBI ID
3112
ATC码
N04AA02
CHEMBL
1101
Chemspider ID
2289
DrugBank ID
DB00810
KEGG ID
D00779
美国药典/FDA物质标识码
0FRP6G56LD
维基百科标题
Biperiden
Medline Plus
a699058

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 13.820097  质子受体
质子供体 LogD (pH = 5.5) 0.21261095 
LogD (pH = 7.4) 1.6437268  Log P 3.5365074 
摩尔折射率 97.0158 cm3 极化性 37.70881 Å3
极化表面积 23.47 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 4.28  LOG S -4.86 
溶解度 4.26e-03 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
25.1 mg/L expand 查看数据来源
疏水性(logP)
4.1 expand 查看数据来源
给药途径
Oral, IM, IV expand 查看数据来源
生物利用度
33 ± 5% (oral) expand 查看数据来源
排泄
Renal expand 查看数据来源
半衰期
18 to 24 hours expand 查看数据来源
代谢
Hepatic hydroxylation expand 查看数据来源
蛋白结合率
60% expand 查看数据来源
法定药品分级
Rx-only (US) expand 查看数据来源
妊娠期药物分类
B2 (Australia) expand 查看数据来源
C (US) expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia
DrugBank -  DB00810 external link
Item Information
Drug Groups approved
Description A muscarinic antagonist that has effects in both the central and peripheral nervous systems. It has been used in the treatment of arteriosclerotic, idiopathic, and postencephalitic parkinsonism. It has also been used to alleviate extrapyramidal symptoms induced by phenothiazine derivatives and reserpine. [PubChem]
Indication For use as an adjunct in the therapy of all forms of parkinsonism and control of extrapyramidal disorders secondary to neuroleptic drug therapy.
Pharmacology Biperiden is a weak peripheral anticholinergic agent. It has, therefore, some antisecretory, antispasmodic and mydriatic effects. In addition, biperiden possesses nicotinolytic activity. The parenteral form of biperiden is an effective and reliable agent for the treatment of acute episodes of extrapyramidal disturbances sometimes seen during treatment with neuroleptic agents. Akathisia, akinesia, dyskinetic tremors, rigor, oculogyric crisis, spasmodic torticollis, and profuse sweating are markedly reduced or eliminated. With parenteral biperiden, these drug-induced disturbances are rapidly brought under control.
Toxicity LD50=760 mg/kg (Orally in rats). Signs of overdose include dilated and sluggish pupils, warm, dry skin, facial flushing, decreased secretions of the mouth, pharynx, nose, and bronchi, foul-smelling breath, elevated temperature, tachycardia, cardiac arrhythmias, decreased bowel sounds, urinary retention, delirium, disorientation, anxiety, hallucinations, illusions, confusion, incoherence, agitation, hyperactivity, ataxia, loss of memory, paranoia, combativeness, and seizures.
Affected Organisms
Humans and other mammals
Biotransformation The metabolism of biperiden is not completely understood, but does involve hydroxylation.
Absorption 87% bioavailability
Protein Binding 60%
References
Nishiyama K, Mizuno T, Sakuta M, Kurisaki H: Chronic dementia in Parkinson's disease treated by anticholinergic agents. Neuropsychological and neuroradiological examination. Adv Neurol. 1993;60:479-83. [Pubmed]
External Links
Wikipedia
RxList
Drugs.com

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Nishiyama K, Mizuno T, Sakuta M, Kurisaki H: Chronic dementia in Parkinson's disease treated by anticholinergic agents. Neuropsychological and neuroradiological examination. Adv Neurol. 1993;60:479-83. Pubmed
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专利

专利

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