阿莫地喹盐酸盐结构式
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常用名 | 阿莫地喹盐酸盐 | 英文名 | Amodiaquin dihydrochloride dihydrate |
|---|---|---|---|---|
| CAS号 | 6398-98-7 | 分子量 | 464.81 | |
| 密度 | N/A | 沸点 | 535.4ºC at 760 mmHg | |
| 分子式 | C20H22ClN3O.2H2O.2HCl | 熔点 | N/A | |
| MSDS | 中文版 美版 | 闪点 | 277.6ºC |
阿莫地喹盐酸盐用途Amodiaquine二盐酸盐二水合物是组胺N-甲基转移酶抑制剂,用作抗疟和抗炎剂。 |
| 中文名 | 氨酚喹 二盐酸盐 二水合物 |
|---|---|
| 英文名 | amodiaquine hydrochloride |
| 中文别名 | 阿莫地喹盐酸盐 |
| 英文别名 | 更多 |
| 沸点 | 535.4ºC at 760 mmHg |
|---|---|
| 分子式 | C20H22ClN3O.2H2O.2HCl |
| 分子量 | 464.81 |
| 闪点 | 277.6ºC |
| PSA | 48.39000 |
| LogP | 6.85620 |
| InChIKey | YVNAYSHNIILOJS-UHFFFAOYSA-N |
| SMILES | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O |
| 外观性状 | 固体;White to Yellow to Orange powder to crystal |
| 储存条件 | 避光,阴凉干燥处,密封保存 |
| 稳定性 | 常温常压下稳定,色结晶性粉末,无嗅或近乎无嗅。 |
| 水溶解性 | 水溶性:可溶;可溶于:甲醇;极微溶:苯,氯仿,乙醚;不溶:醇 |
| 分子结构 | 1、 摩尔折射率:105.50 2、 摩尔体积(m3/mol):282.7 3、 等张比容(90.2K):771.1 4、 表面张力(dyne/cm):55.2 5、 极化率(10 -24cm 3):41.82 |
| 计算化学 | 1、 氢键供体数量:6 2、 氢键受体数量:6 3、 可旋转化学键数量:6 4、 互变异构体数量:13 5、 拓扑分子极性表面积(TPSA):50.4 6、 重原子数量:29 7、 表面电荷:0 8、 复杂度:406 9、 同位素原子数量:0 10、 确定原子立构中心数量: 0 11、 不确定原子立构中心数量:0 12、 确定化学键立构中心数量:0 13、 不确定化学键立构中心数量:0 14、 共价键单元数量:5 |
| 更多 | 1. 性状:黄色结晶性粉末,无嗅或近乎无嗅 2. 密度(g/mL, 25 ℃ ):未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):未确定 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,1mmHg):未确定 7. 折射率:未确定 8. 闪点(ºC):未确定 9. 比旋光度(º):未确定 10. 自燃点或引燃温度(ºC):未确定 11. 蒸气压(20ºC):未确定 12. 饱和蒸气压(kPa,60ºC):未确定 13. 燃烧热(KJ/mol):未确定 14. 临界温度(ºC):未确定 15. 临界压力(KPa):未确定 16. 油水(辛醇/水)分配系数的对数值:未确定 17. 爆炸上限(%,V/V):未确定 18. 爆炸下限(%,V/V):未确定 19. 溶解性:未确定 |
| 个人防护装备 | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| 危害码 (欧洲) | Xn |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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| UNII:K6PW2S574L |
| Amodiaquine hydrochloride USP24 |
| Amodiaquin dihydrochloride dihydrate |
| AMODIAQUIN DIHYDROCHLORIDE DIHYDATE |
| MFCD00078857 |
| Amodiaquin hydrochloride dihydrate |
| AMODIAQUIN HYDROCHLORIDE |
| AMODIAQUINE 2HCL DIHYDRATE |
| EINECS 200-706-0 |
| Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, hydrochloride, hydrate (1:2:2) |
| AMODIAQUIN DIHYDROCHLORIDE |
| AMODIAQUINE HCL |
| 4-[(7-Chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]phenol dihydrochloride dihydrate |
| AMODIAQUINE DIHYDROCHLORIDE |