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57574-09-1 分子结构
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N-(6-carboxyhexyl)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-aminium chloride

ChemBase编号:4380
分子式:C22H28ClNO2
平均质量:373.91622
单一同位素质量:373.18085682
SMILES和InChIs

SMILES:
[Cl-].OC(=O)CCCCCC[NH2+]C1c2c(CCc3c1cccc3)cccc2
Canonical SMILES:
OC(=O)CCCCCC[NH2+]C1c2ccccc2CCc2c1cccc2.[Cl-]
InChI:
InChI=1S/C22H27NO2.ClH/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22;/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25);1H
InChIKey:
VDPUXONTAVMIKZ-UHFFFAOYSA-N

引用这个纪录

CBID:4380 http://www.chembase.cn/molecule-4380.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-(6-carboxyhexyl)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-aminium chloride
IUPAC传统名
N-(6-carboxyhexyl)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-aminium chloride
商标名
Maneon
Survector
别名
Amineptine hydrochloride
Amineptine
CAS号
57574-09-1
PubChem SID
46509012
160967812
PubChem CID
34869

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 DB04836 external link
PubChem 34869 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 4.41307  质子受体
质子供体 LogD (pH = 5.5) 2.717727 
LogD (pH = 7.4) 2.742191  Log P 2.7436762 
摩尔折射率 112.6259 cm3 极化性 39.421856 Å3
极化表面积 53.91 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 0.99  LOG S -7.31 
溶解度 1.84e-05 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 -  DB04836 external link
Item Information
Drug Groups illicit; withdrawn
Description The Food and Drug Administration suspended the marketing authorisation for Survector in 1999 and France withdrew it from the market, however several developing countries continued to produce it up until 2005.
Indication For the treatment of depression.
Pharmacology Amineptine is an atypical tricyclic antidepressant.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic.
Half Life 48 minutes for the parent drug and 2.5 hours for the metabolites.
References
Vaugeois JM, Corera AT, Deslandes A, Costentin J: Although chemically related to amineptine, the antidepressant tianeptine is not a dopamine uptake inhibitor. Pharmacol Biochem Behav. 1999 Jun;63(2):285-90. [Pubmed]
Grupper C: [New iatrogenic acne: acne caused by amineptin (Survector)] Ann Dermatol Venereol. 1988;115(11):1174-6. [Pubmed]
Thioly-Bensoussan D, Charpentier A, Triller R, Thioly F, Blanchet P, Tricoire N, Noury JY, Grupper C: [Iatrogenic acne caused by amineptin (Survector). Apropos of 8 cases] Ann Dermatol Venereol. 1988;115(11):1177-80. [Pubmed]
Vexiau P, Gourmel B, Husson C, Castot A, Rybojad M, Julien R, Fiet J, Puissant A, Cathelineau G: [Severe lesions of acne type induced by chronic amineptin poisoning: apropos of 6 cases] Ann Dermatol Venereol. 1988;115(11):1180-2. [Pubmed]
Teillac D, Weber MJ, Lowenstein W, de Prost Y: [Acne caused by Survector] Ann Dermatol Venereol. 1988;115(11):1183-4. [Pubmed]
External Links
Wikipedia

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Vaugeois JM, Corera AT, Deslandes A, Costentin J: Although chemically related to amineptine, the antidepressant tianeptine is not a dopamine uptake inhibitor. Pharmacol Biochem Behav. 1999 Jun;63(2):285-90. Pubmed
  • Grupper C: [New iatrogenic acne: acne caused by amineptin (Survector)] Ann Dermatol Venereol. 1988;115(11):1174-6. Pubmed
  • Thioly-Bensoussan D, Charpentier A, Triller R, Thioly F, Blanchet P, Tricoire N, Noury JY, Grupper C: [Iatrogenic acne caused by amineptin (Survector). Apropos of 8 cases] Ann Dermatol Venereol. 1988;115(11):1177-80. Pubmed
  • Vexiau P, Gourmel B, Husson C, Castot A, Rybojad M, Julien R, Fiet J, Puissant A, Cathelineau G: [Severe lesions of acne type induced by chronic amineptin poisoning: apropos of 6 cases] Ann Dermatol Venereol. 1988;115(11):1180-2. Pubmed
  • Teillac D, Weber MJ, Lowenstein W, de Prost Y: [Acne caused by Survector] Ann Dermatol Venereol. 1988;115(11):1183-4. Pubmed
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专利

专利

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