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132539-06-1 分子结构
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5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),2,5,7,11,13-hexaene

ChemBase编号:218
分子式:C17H20N4S
平均质量:312.4325
单一同位素质量:312.14086766
SMILES和InChIs

SMILES:
s1c2=Nc3c(NC(=c2cc1C)N1CCN(CC1)C)cccc3
Canonical SMILES:
CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C
InChI:
InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
InChIKey:
WXPNDRBBWZMPQG-UHFFFAOYSA-N

引用这个纪录

CBID:218 http://www.chembase.cn/molecule-218.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
5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),2,5,7,11,13-hexaene
IUPAC传统名
5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),2,5,7,11,13-hexaene
商标名
Olansek
Symbyax
Zydis
Zyprexa
Zyprexa Intramuscular
Zyprexa Zydis
别名
olanzapine
Olanzapine
CAS号
132539-06-1
PubChem SID
160963681
PubChem CID
4585

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 DB00334 external link
PubChem 4585 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
Acid pKa 16.884417  质子受体
质子供体 LogD (pH = 5.5) -1.3712059 
LogD (pH = 7.4) 1.4101064  Log P 2.736357 
摩尔折射率 108.7527 cm3 极化性 35.520382 Å3
极化表面积 30.87 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 2.65  LOG S -2.79 
溶解度 5.06e-01 g/l 

分子性质

分子性质

理化性质 生物活性(PubChem)
疏水性(logP)
2 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB00334 external link
Item Information
Drug Groups approved; investigational
Description Olanzapine is an atypical antipsychotic, approved by the FDA in 1996. Olanzapine is manufactured and marketed by the pharmaceutical company Eli Lilly and Company, whose patent for olanzapine proper ends in 2011.
Indication For the acute and maintenance treatment of schizophrenia and related psychotic disorders, as well as acute treatment of manic or mixed episodes of bipolar 1 disorder. Intramuscular olanzapine is indicated for the rapid control of agitated patients.
Pharmacology Olanzapine, an atypical antipsychotic agent, is used to treat both negative and positive symptoms of schizophrenia, acute mania with bipolar disorder, agitation, and psychotic symptoms in dementia. Future uses may include the treatment of obsessive-compulsive disorder and severe behavioral disorders in autism. Structurally and pharmacologically similar to clozapine, olanzapine binds to alpha(1), dopamine, histamine H1, muscarinic, and serotonin type 2 (5-HT2) receptors.
Toxicity Symptoms of an overdose include tachycardia, agitation, dysarthria, decreased consciousness and coma. Death has been reported after an acute overdose of 0.45g, but also survival after an acute overdose of 1500g.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic
Absorption Well absorbed, with approximately 40% of the dose metabolized before reaching the systemic circulation.
Half Life 21 to 54 hours
Protein Binding 93%
Elimination It is eliminated extensively by first pass metabolism, with approximately 40% of the dose metabolized before reaching the systemic circulation. Following a single oral dose of 14C labeled olanzapine, 7% of the dose of olanzapine was recovered in the urine as unchanged drug, indicating that olanzapine is highly metabolized.
Distribution * 1000 L
Clearance * 12 to 47 L/h
References
de Haan L, van Amelsvoort T, Rosien K, Linszen D: Weight loss after switching from conventional olanzapine tablets to orally disintegrating olanzapine tablets. Psychopharmacology (Berl). 2004 Sep;175(3):389-90. [Pubmed]
Pollack MH, Simon NM, Zalta AK, Worthington JJ, Hoge EA, Mick E, Kinrys G, Oppenheimer J: Olanzapine augmentation of fluoxetine for refractory generalized anxiety disorder: a placebo controlled study. Biol Psychiatry. 2006 Feb 1;59(3):211-5. Epub 2005 Sep 1. [Pubmed]
Sepede G, De Berardis D, Gambi F, Campanella D, La Rovere R, D'Amico M, Cicconetti A, Penna L, Peca S, Carano A, Mancini E, Salerno RM, Ferro FM: Olanzapine augmentation in treatment-resistant panic disorder: a 12-week, fixed-dose, open-label trial. J Clin Psychopharmacol. 2006 Feb;26(1):45-9. [Pubmed]
Jakovljevic M, Sagud M, Mihaljevic-Peles A: Olanzapine in the treatment-resistant, combat-related PTSD--a series of case reports. Acta Psychiatr Scand. 2003 May;107(5):394-6; discussion 396. [Pubmed]
McGlashan TH, Zipursky RB, Perkins D, Addington J, Miller TJ, Woods SW, Hawkins KA, Hoffman R, Lindborg S, Tohen M, Breier A: The PRIME North America randomized double-blind clinical trial of olanzapine versus placebo in patients at risk of being prodromally symptomatic for psychosis. I. Study rationale and design. Schizophr Res. 2003 May 1;61(1):7-18. [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
  • de Haan L, van Amelsvoort T, Rosien K, Linszen D: Weight loss after switching from conventional olanzapine tablets to orally disintegrating olanzapine tablets. Psychopharmacology (Berl). 2004 Sep;175(3):389-90. Pubmed
  • Pollack MH, Simon NM, Zalta AK, Worthington JJ, Hoge EA, Mick E, Kinrys G, Oppenheimer J: Olanzapine augmentation of fluoxetine for refractory generalized anxiety disorder: a placebo controlled study. Biol Psychiatry. 2006 Feb 1;59(3):211-5. Epub 2005 Sep 1. Pubmed
  • Sepede G, De Berardis D, Gambi F, Campanella D, La Rovere R, D'Amico M, Cicconetti A, Penna L, Peca S, Carano A, Mancini E, Salerno RM, Ferro FM: Olanzapine augmentation in treatment-resistant panic disorder: a 12-week, fixed-dose, open-label trial. J Clin Psychopharmacol. 2006 Feb;26(1):45-9. Pubmed
  • Jakovljevic M, Sagud M, Mihaljevic-Peles A: Olanzapine in the treatment-resistant, combat-related PTSD--a series of case reports. Acta Psychiatr Scand. 2003 May;107(5):394-6; discussion 396. Pubmed
  • McGlashan TH, Zipursky RB, Perkins D, Addington J, Miller TJ, Woods SW, Hawkins KA, Hoffman R, Lindborg S, Tohen M, Breier A: The PRIME North America randomized double-blind clinical trial of olanzapine versus placebo in patients at risk of being prodromally symptomatic for psychosis. I. Study rationale and design. Schizophr Res. 2003 May 1;61(1):7-18. Pubmed
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