去甲麻黄碱结构式
|
常用名 | 去甲麻黄碱 | 英文名 | (-)-norephedrine |
|---|---|---|---|---|
| CAS号 | 492-41-1 | 分子量 | 151.206 | |
| 密度 | 1.1±0.1 g/cm3 | 沸点 | 288.1±20.0 °C at 760 mmHg | |
| 分子式 | C9H13NO | 熔点 | 51-53 °C(lit.) | |
| MSDS | 中文版 美版 | 闪点 | 128.1±21.8 °C | |
| 符号 |
GHS07 |
信号词 | Warning |
去甲麻黄碱用途暂无 |
| 中文名 | 去甲麻黄碱 |
|---|---|
| 英文名 | (1R,2S)-2-amino-1-phenylpropan-1-ol |
| 中文别名 | (-)-降麻黄碱 | L-降麻黄碱 |
| 英文别名 | 更多 |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 288.1±20.0 °C at 760 mmHg |
| 熔点 | 51-53 °C(lit.) |
| 分子式 | C9H13NO |
| 分子量 | 151.206 |
| 闪点 | 128.1±21.8 °C |
| 精确质量 | 151.099716 |
| PSA | 46.25000 |
| LogP | 0.81 |
| InChIKey | DLNKOYKMWOXYQA-CBAPKCEASA-N |
| SMILES | CC(N)C(O)c1ccccc1 |
| 蒸汽压 | 0.0±0.6 mmHg at 25°C |
| 折射率 | 1.558 |
| 储存条件 | 2-8°C密封保存,放置在通风,干燥的环境中 |
| 稳定性 | 按规格使用和贮存,不会发生分解,避免与氧化物接触 |
| 分子结构 | 1、 摩尔折射率:45.46 2、 摩尔体积(m3/mol):141.0 3、 等张比容(90.2K):365.4 4、 表面张力(dyne/cm):45.0 5、 极化率(10 -24cm 3):18.02 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:2 3.氢键受体数量:2 4.可旋转化学键数量:2 5.互变异构体数量:无 6.拓扑分子极性表面积46.2 7.重原子数量:11 8.表面电荷:0 9.复杂度:110 10.同位素原子数量:0 11.确定原子立构中心数量:2 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:1 |
| 更多 | 1. 性状:未确定 2. 密度(g/ m3,25/4℃):未确定 3. 相对蒸汽密度(g/cm3,空气=1):未确定 4. 熔点(ºC):51-53 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(ºF):230 9. 比旋光度(º):-41 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 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H302-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) | Xn: Harmful; |
| 风险声明 (欧洲) | R22;R36/37/38 |
| 安全声明 (欧洲) | S26 |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
| RTECS号 | RC2275000 |
| 海关编码 | 2939440000 |
| 去甲麻黄碱上游产品 8 | |
|---|---|
| 去甲麻黄碱下游产品 10 | |
暂无
| 海关编码 | 2939440000 |
|---|
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Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
Chem. Res. Toxicol. 23 , 171-83, (2010) Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental... |
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Forensic analysis of hallucinogenic mushrooms and khat (Catha edulis Forsk) using cation-exchange liquid chromatography.
Forensic Sci. Int. 195(1-3) , 160-4, (2010) Hallucinogenic mushrooms (e.g. Psilocybe and Panaeolus species) as well as leaves and young shoots of the khat tree (Catha edulis Forsk) are illicit drugs in many countries. The exact concentration of... |
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Keep an eye on the pupil: developing countries under chemical attack.
Intern. Emerg. Med. 4(3) , 231-3, (2009)
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实验名称:Dose corresponding to a 5 mmHg increase in Intraurethral pressure (IUP) was determine...
来源:ChEMBL
靶标:Canis lupus familiaris
External Id:CHEMBL648635
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实验名称:In vitro percent efficacy of compound was tested in rabbit urethra
来源:ChEMBL
靶标:Oryctolagus cuniculus
External Id:CHEMBL766564
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实验名称:Affinity against 5-hydroxytryptamine receptors in rat fundus model
来源:ChEMBL
靶标:5-hydroxytryptamine receptor 3B
External Id:CHEMBL619177
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实验名称:Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:ORF 73 [Human herpesvirus 8 type M]
External Id:HMS791
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实验名称:Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1315
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实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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实验名称:Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimo...
来源:ChEMBL
靶标:Solute carrier organic anion transporter family member 1B3
External Id:CHEMBL3039491
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实验名称:Phenotypic Assay to Identify Small Molecules that Upregulate Production of hCFTR in H...
来源:Southern Research Institute
靶标:CFTR
External Id:CF Folding
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实验名称:The chemical genetic matrix (CGM) dataset as reported in Wildenhain et al. (2015) Pre...
来源:11924
靶标:N/A
External Id:CGM data for Cell Systems paper Dec 2015
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实验名称:Increase the activity of the Burkholderia fixLJ 2-component system
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:Burkholderia multivorans
External Id:HMS1625
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| (-)-Norephedrin |
| MFCD00066044 |
| (1S,2R)-H2NCH(Me)CH(OH)Ph |
| l-Norephedrine |
| (-)-Phenylpropanolamine |
| (-)-erythro-2-Amino-2-methyl-1-phenylethanol |
| (1R,2S)-2-amino-1-phenyl-propan-1-ol |
| (1R,2S)-(-)-norephedrine |
| (1R,2S)-2-Amino-1-phenyl-1-propanol |
| (aR)-a-[(1S)-1-Aminoethyl]benzenemethanol |
| USAF CS-6 |
| l-Phenylpropanolamine |
| L-ERYTHRO-(1R,2S)-2-AMINO-1-PHENYLPROPAN-1-OL |
| Mydriatin |
| EINECS 207-755-7 |
| (R,S)-(-)-Norephedrine |
| (-)-norephedrine |
| (1R,2S)-2-amino-1-phenylpropan-1-ol |
| [R-(R*,S*)]-a-(1-Aminoethyl)benzenemethanol |