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埃索美拉唑 | 119141-88-7

埃索美拉唑
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
119141-88-7
C17H19N3O3S
345.41606
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:埃索美拉唑结构式
9568614
埃索美拉唑价格
简介
埃索美拉唑(esomeprazole)化学名称为S-5-甲氧基-2-{[(4-甲氧基-3,5-二甲基-2-吡啶基)甲基]亚磺酰基}-1H-苯并咪唑,分子式为C17H19N3O3S,分子量为345.41600,密度为1.37g/cm3,沸点为600ºC at 760mmHg,闪点为316.7ºC,折射率为1.669,蒸汽压为0mmHg at 25°C。临床上用于作为当口服疗法不适用时,胃食管反流病的替代疗法。
名称和标识符
MDL MFCD28405604
InChIKey SUBDBMMJDZJVOS-DEOSSOPVSA-N
Inchi 1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1
SMILES O=[S@](C1=NC2=CC=C(OC)C=C2N1)CC3=NC=C(C)C(OC)=C3C
别名信息
- 中文别名 -
  • 埃索美拉唑
  • 艾司奥美拉唑
  • 5-甲氧基-2-((S)-((4-甲氧基-3,5-二甲基-2- 吡啶基)甲基)亚硫酰基)-1H-苯并咪唑
  • 4-溴甲基-2-(2-吡啶基)噻唑-5-羧酸乙酯
  • Esomeprazole Magnesium trihydrate 标准品
  • 阿西替尼
  • 埃索美拉唑-D3
  • 埃索美拉唑标准品
  • 埃索美拉唑镁
  • 埃索美拉唑杂质
  • 埃索米拉唑
  • 埃索杂质对照品
  • 技术转让
  • 埃索美啦唑
  • 诶索美拉唑
  • 埃索拉唑镁盐
  • 埃索美拉唑锶
  • 艾司奥美拉唑钠
  • 埃索美拉唑杂质5
  • 埃索美拉唑杂质2
  • 艾索美拉唑
- 英文别名 -
  • (S)-6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
  • 5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2- pyridinyl)methyl)sulfinyl)-1H-benzimidazole
  • 6-Methoxy-2-[(R)-(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-benzoimidazole
  • Esomeprazole
  • Esomeprazole(Mg)
  • (-)-Omeprazole
  • (S) omeprazole
  • (S)-(-)-omeprazole
  • (S)-5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole
  • (S)-Esomeprazole
  • (S)-omeprazole
  • [14C]-(-)-Omeprazole
  • CHEBI:50275
  • esomeprazol
  • Esomeprazole (INN)
  • esomeprazolum
  • S-enantiomer of omeprazole
  • UNII-N3PA6559FT
  • (RelCpd F)
  • EsoMaprozole
  • Esomeprazole(Na、Mg)
  • Esomeprazol EP Impurity F
  • 119141-58-6
  • EsoMeprazole EC Pellets 22%
  • 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
  • 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
  • (s)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-3h-benzimidazole
  • USRE49340, Rank 8
  • berkley and jensen heartburn treatment
  • AKOS016001455
  • BRD-K61443506-001-01-0
  • (S)-5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
  • ESOMEPRAZOLE [VANDF]
  • Omeprazole S-form
  • (5)6-methoxy-2[[(4methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole
  • (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole
  • GTPL5488
  • Q553223
  • 5-methoxy-2-{(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
  • (5)6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole
  • (5)6-methoxy-2-[[(4-methoxy-3,5dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole
  • Inexium paranova (TN)
  • 1H-Benzimidazole, 5-methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2- pyridinyl)methyl)sulfinyl)-
  • Escz
  • NS00098762
  • H199/18
  • Esomeprazole Sodium
  • (S)-(-)-Omeprazole
  • Nexium
  • BIDD:GT0020
  • 119141-88-7
  • CS-0003839
  • 1H-BENZIMIDAZOLE, 5-METHOXY-2-((S)-((4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)SULFINYL)-
  • (s)-5-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-ylmethane-sulfinyl)-1h-benzimidazole
  • (5)6-methoxy-2[[(4methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]1H-benzimidazole
  • Perprazole
  • 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
  • Inexium paranova
  • (S)-Omeprazole
  • Esofag
  • Esomeprazole magnesium
  • CHEMBL1201320
  • DTXSID4044292
  • (+)-(5)6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
  • HY-17021
  • AS-77669
  • ESOMEPRAZOLE [INN]
  • N3PA6559FT
  • SUBDBMMJDZJVOS-DEOSSOPVSA-N
  • Alenia
  • A02BC05
  • ESOMEPRAZOLE (MART.)
  • BDBM586486
  • r-(+)-omeprazole
  • Omeprazole, (s)-
  • (S)-5-Methoxy-2-[(3,5-dimethyl-4-methoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole
  • ESOMEPRAZOLE [MART.]
  • SCHEMBL19535
  • 5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)benzimidazole
  • D07917
  • (s)-5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1h-benzimidazole
  • Nexiam
  • ESOMEPRAZOLE [WHO-DD]
  • AM84543
  • (S)-5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
  • Esomeprazole [INN:BAN]
  • 5-methoxy-2-[(S)-[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl]-1H-1,3-benzodiazole
  • (5)6-methoxy-2-[[(4methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole
  • (S)-5-Methoxy-2-[(3,5-dimethyl-4-methoxy-2-pyridyl) methylsulfinyl]1-H-benzimidazole
  • AKOS015900821
  • (5)6-methoxy-2[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H-benzimidazole
  • DB00736
  • IZRA 40
  • HSDB 8158
  • DTXCID10196488
  • OMEPRAZOLE S-FORM [MI]
  • Esomeprazol
物化性质
实验特性
LogP 3.76540
PSA 77.1
折射率 1.669
沸点 600°C at 760 mmHg
熔点 [155]
蒸气压 0.0±1.7 mmHg at 25°C
闪点 316.7±32.9 °C
比旋光度 D20 -155° (c = 0.5 in chloroform)
密度 1.4±0.1 g/cm3
计算特性
精确分子量 345.11487
氢键供体数量 1
氢键受体数量 6
可旋转化学键数量 5
同位素质量 345.114712
重原子数量 24
复杂度 453
同位素原子数量 0
确定原子立构中心数量 1
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.2
拓扑分子极性表面积 96.3
国际标准相关数据
EINECS 201-212-8
生产方法和用途
用途 与适当的抗菌疗法联合用药根除幽门螺杆菌。
生产方法 从奥美拉唑拆分得到。
合成路线

合成路线:1 步

反应条件:
参考文献:
Catalytic asymmetric oxidation of 1H-benzimidazolyl pyridinylmethyl sulfides with cumene hydroperoxide catalyzed by a titanium complex with (S,S)-N,N'-dibenzyl tartramide ligand
Che, Guoyong; Xiang, Jing; Tian, Tian; Huang, Qingfei; Cun, Linfeng; et al, Tetrahedron: Asymmetry, 2012, 23(6-7), 457-460

合成路线:1 步

反应条件:
参考文献:
Catalytic Asymmetric Synthesis of Esomeprazole by a Titanium Complex with a Hexa-aza-triphenolic Macrocycle Ligand
Song, Weiguo; Dong, Liangjun; Zhou, Yuhan; Fu, Yongqiang; Xu, Wenfang, Synthetic Communications, 2015, 45(1), 70-77

合成路线:1 步

反应条件:
参考文献:
Synthesis of Esomeprazole and Related Proton Pump Inhibitors through Iron-Catalyzed Enantioselective Sulfoxidation
Nishiguchi, Shigenobu; Izumi, Takuhiro; Kouno, Takayoshi; Sukegawa, Junpei; Ilies, Laurean ; et al, ACS Catalysis, 2018, 8(10), 9738-9743
相关文献
专业数据库参考
PubChemId 9568614
参考资料
Reaxys RN
化合物详情(旧版)

埃索美拉唑的物理化学性质

密度:1.37g/cm3
沸点:600ºC at 760mmHg
闪点:316.7ºC
折射率:1.669
蒸汽压:0mmHg at 25°C

产品用途

与适当的抗菌疗法联合用药根除幽门螺杆菌。





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