异丙肾上腺素结构式
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常用名 | 异丙肾上腺素 | 英文名 | (-)-isoproterenol hydrochloride |
|---|---|---|---|---|
| CAS号 | 5984-95-2 | 分子量 | 247.71900 | |
| 密度 | N/A | 沸点 | 441.5ºC at 760 mmHg | |
| 分子式 | C11H18ClNO3 | 熔点 | 175ºC (dec.)(lit.) | |
| MSDS | 中文版 美版 | 闪点 | 220.8ºC | |
| 符号 |
GHS07 |
信号词 | Warning |
异丙肾上腺素用途Isoprenaline hydrochloride is a ?1- and ?2-adrenoreceptor agonist. |
| 中文名 | L-(-)-异丙基肾上腺素盐酸盐 |
|---|---|
| 英文名 | 4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol,hydrochloride |
| 中文别名 | (-)-异丙肾上腺素盐酸盐 |
| 英文别名 | 更多 |
| 沸点 | 441.5ºC at 760 mmHg |
|---|---|
| 熔点 | 175ºC (dec.)(lit.) |
| 分子式 | C11H18ClNO3 |
| 分子量 | 247.71900 |
| 闪点 | 220.8ºC |
| 精确质量 | 247.09800 |
| PSA | 72.72000 |
| LogP | 2.32210 |
| InChIKey | IROWCYIEJAOFOW-MERQFXBCSA-N |
| SMILES | CC(C)NCC(O)c1ccc(O)c(O)c1.Cl |
| 储存条件 | −20°C |
| 分子结构 | 1、 摩尔折射率:58.55 2、 摩尔体积(m3/mol):176.0 3、 等张比容(90.2K):473.9 4、 表面张力(dyne/cm):52.5 5、 极化率(10 -24cm 3):23.21 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:5 3.氢键受体数量:4 4.可旋转化学键数量:4 5.互变异构体数量:10 6.拓扑分子极性表面积72.7 7.重原子数量:16 8.表面电荷:0 9.复杂度:187 10.同位素原子数量:0 11.确定原子立构中心数量:1 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:2 |
| 更多 | 1. 性状:未确定 2. 密度(g/mL,25/4℃):未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):175 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,5.2kPa):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(kPa,25ºC):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 |
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异丙肾上腺素毒理学数据: 1、急性毒性: 1.小鼠腹膜LD50:308mg/kg,毒性作用的描述没有报告除此以外的其他致死剂量值。 2.小鼠皮下LD50:435mg/kg,毒性作用的描述没有报告除此以外的其他致死剂量值。 3.小鼠静脉LD50:11500ug/kg,毒性作用的描述没有报告除此以外的其他致死剂量值。 4. 大鼠腹膜LD50:298mg/kg,毒性作用的描述没有报告除此以外的其他致死剂量值。 5.大鼠静脉LD50:21200ug/kg,毒性作用的描述没有报告除此以外的其他致死剂量值。 2、繁殖数据: 1.小鼠静脉最低毒剂LDLo:7700 ug/kg,母鼠受孕后7-17天用。生殖-对胚胎或胎儿-其余胚胎结构(例如,胎盘,脐带)生殖-新生儿的影响-物理。 2. 小兔静脉最低毒剂LDLo:3900 ug/kg,母兔受孕后6-18天用。生殖-具体的发展异常-肌肉骨骼系。 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H315-H319-H335 |
| 警示性声明 | P261-P305 + P351 + P338 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) | Xi |
| 风险声明 (欧洲) | 36/37/38 |
| 安全声明 (欧洲) | 26-36 |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
| RTECS号 | DO1926000 |
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~%
异丙肾上腺素 5984-95-2 |
| 文献:Chirality, , vol. 25, # 7 p. 409 - 414 |
| 异丙肾上腺素上游产品 1 | |
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| 异丙肾上腺素下游产品 0 | |
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β-adrenergic receptor-dependent alterations in murine cardiac transcript expression are differentially regulated by gefitinib in vivo.
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Thermogenic activity of UCP1 in human white fat-derived beige adipocytes.
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Alteration of vascular reactivity in heart failure: role of phosphodiesterases 3 and 4.
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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:Dicer-mediated maturation of pre-microRNA
来源:Center for Chemical Genomics, University of Michigan
靶标:N/A
External Id:TargetID_659_CEMA
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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:Confirmed inhibitors of the Choline Transporter (CHT)
来源:1043
靶标:high affinity choline transporter 1 [Homo sapiens]
External Id:SAID_488997
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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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| l-isoprenaline hydrochlorid |
| l-Isoprenaline chloride |
| MFCD00064548 |
| l-Isoproterenol hydrochloride |
| l-Isoprenaline hydrochloride |