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Merck
CN

O111

Sigma-Aldrich

Octoclothepin 马来酸盐

solid

别名:

1-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine maleate salt

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关于此项目

经验公式（希尔记法）:
C19H21ClN2S · C4H4O4
化学文摘社编号:
4789-68-8
分子量:
460.97
MDL编号:
MFCD00153855
UNSPSC代码:
12352200
PubChem化学物质编号:
24277921
NACRES:
NA.77

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表单

solid

质量水平

200

颜色

white

溶解性

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >21 mg/mL

SMILES字符串

[H]\C(=C(/[H])C(O)=O)C(O)=O.CN1CCN(CC1)C2Cc3ccccc3Sc4ccc(Cl)cc24

InChI

1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChI key

GWKBZIADWSOIQV-BTJKTKAUSA-N

基因信息

human ... DRD2(1813), HTR2A(3356), HTR2B(3357), HTR2C(3358)

生化/生理作用

D2 dopamine receptor antagonist; 5-HT2 serotonin receptor antagonist.

象形图

Skull and crossbones
GHS06

警示用语：

Danger

危险声明

H301

预防措施声明

P301 + P310

危险分类

Acute Tox. 3 Oral

储存分类代码

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
068H4732V

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K P Bøgesø et al.
Journal of medicinal chemistry, 34(7), 2023-2030 (1991-07-01)
Octoclothepin (1) was resolved into its R and S enantiomers via the diastereomeric tartaric acid salts. The enantiomers were shown to be of high optical purity by 1H NMR with use of the chiral shift reagent (R)-(-)-2,2,2-trifluoro-1-(9-anthryl)ethanol. Pharmacological and biochemical
Tetsuji Aoyagi et al.
Shock (Augusta, Ga.), 52(1), 83-91 (2018-07-22)
Excessive inflammation reactions with a cytokine storm in the lungs have historically been thought as the primary cause of fatal acute respiratory distress syndrome (ARDS). However, interruption of inflammatory cytokine activation failed to attenuate ARDS, suggesting that other therapies are
Rune Risgaard et al.
Nuclear medicine and biology, 40(1), 135-140 (2012-11-21)
Cerebral α₁-adrenoceptors are a common target for many antipsychotic drugs. Thus, access to positron emission tomography (PET) brain imaging of α₁-adrenoceptors could make important contributions to the understanding of psychotic disorders as well as to the pharmacokinetics and occupancy of
Veronika Bezold et al.
Aging, 11(14), 5258-5275 (2019-08-07)
Glycation and the accumulation of advanced glycation end products (AGEs) are known to occur during normal aging but also in the progression of several diseases, such as diabetes. Diabetes type II and aging both lead to impaired wound healing. It
B G Tehan et al.
Journal of molecular graphics & modelling, 19(5), 417-426 (2001-09-13)
In an attempt to elucidate some aspects of clozapine's favorable receptor binding profile, we modeled a series of 30 clozapine analogs using a pharmacophore based on the ligands octoclothepin and tefludazine. Molecular field analysis using CoMFA combined with HINT was
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