5-[双(2-羟乙基)氨基]-1-甲基-1H-苯并咪唑-2-丁酸乙酯 | 3543-74-6
5-[双(2-羟乙基)氨基]-1-甲基-1H-苯并咪唑-2-丁酸乙酯
1-Methyl-5-bis(2’-hydroxyethyl)aminobenzimidazolyl-2butanoic Acid Ethyl Ester
3543-74-6
C18H27N3O4
349.424684762955
名称和标识符
MDL |
MFCD09840918 |
InChIKey |
SJYOJVBTSZGDQH-UHFFFAOYSA-N |
Inchi |
1S/C18H27N3O4/c1-3-25-18(24)6-4-5-17-19-15-13-14(7-8-16(15)20(17)2)21(9-11-22)10-12-23/h7-8,13,22-23H,3-6,9-12H2,1-2H3 |
SMILES |
OCCN(CCO)C1C=CC2=C(C=1)N=C(CCCC(=O)OCC)N2C |
别名信息
- 中文别名 -
- 5-[双(2-羟乙基)氨基]-1-甲基-1H-苯并咪唑-2-丁酸乙酯
- [1-甲基-2-(4'-丁酸乙酯基)-5-N, N-二(2'-羟基乙基)]-1H -苯并咪唑
- 5-(双(2-羟乙基)氨基)-1-甲基-1H-苯并咪唑-2-丁酸乙酯
- 5-[双(2-羟乙基)氨基]-1-甲基-2-苯并咪唑基丁酸乙酯
- 苯达莫司汀相关杂质1
- 苯达莫司汀盐酸盐杂质 标准品
- 盐酸苯达莫斯汀中间体
- [ 1-甲基-2-( 4'-丁酸乙酯基)-5-N,N-二(2'-羟基乙基) ]-1H-苯并咪唑
- 苯达莫司汀中间体5
- 英文别名 -
- Ethyl 4-(5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate
- [1-Methyl-5-bis(2’-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester
- [1-Methyl-5-bis(2’-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester Bendamustine Related
- 5-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
- [1-Methyl-5-bis(2’-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester
Bendamustine Related Impurity 1
- [1-Methyl-5-bis(2'-hydroxyethyl)aMinobenziMidazolyl-2]butanoic Acid Ethyl Ester
- 1-METHYL-5-BIS(2’-HYDROXYETHYL)AMINOBENZIMIDAZOLYL-2]BUTANOIC ACID ETHYL ESTER
- 4-{5-[BIS-(2-HYDROXY-ETHYL)-AMINO]-1-METHYL-1H-BENZOIMIDAZOL-2-YL}-BUTYRIC ACID ETHYL ESTER
- ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
- Ethyl 4-{5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoate
- 1H-Benzimidazole-2-butanoicacid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester
- AC-6923
- 4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1h-benzoimidazol-2-yl}-butyric acid ethyl ester
- 1H-Benzimidazole-2-butanoic acid, 5-(bis(2-hydroxyethyl)amino)-1-methyl-, ethyl ester
- UNII-AUL5NUY9I0
- Ethyl4-(5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate
- 3543-74-6
- MFCD09840918
- AM20090667
- 5-(Bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
- FT-0671562
- 4-{5-[bis-(2-hydroxy-ethyl)-amino]-1-methyl-1H-benzimidazol-2-yl}-butyric acid ethyl ester
- F15054
- 1-methyl-5-BIS(2-HYDROXYethyl)AMINOBENZIMIDAZOLYL-2-BUTANOIC ethyl ESTER
- SCHEMBL365881
- 4-(5-(Bis(2-hydroxyethyl)amino)-1-methylbenzimidazol-2-yl)butanoic acid ethyl ester
- AS-19143
- 1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester
- 2-NITRO-4-METHOXYCARBONYLBENZOICACID
- A851849
- [1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester
- CS-0137734
- AKOS015917969
- AUL5NUY9I0
- Ethyl 4-[5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2-yl]butanoate
- 4-[5-[Bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid ethyl ester
- 1H-Benzimidazole-2-butanoic acid, 5-[bis(2-hydroxyethyl)amino]-1-methyl-, ethyl ester
- BCP06804
- DTXSID00517744
- Ethyl 5-(bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoate
物化性质
实验特性
LogP |
1.25010 |
PSA |
87.82000 |
折射率 |
1.572 |
沸点 |
580.6°C at 760 mmHg |
熔点 |
98-111°C |
蒸气压 |
0.0±1.7 mmHg at 25°C |
闪点 |
305°C |
颜色与性状 |
Powder |
密度 |
1.21 |
计算特性
精确分子量 |
349.20000 |
氢键供体数量 |
2 |
氢键受体数量 |
7 |
可旋转化学键数量 |
11 |
同位素质量 |
349.20015635g/mol |
重原子数量 |
25 |
复杂度 |
404 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
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) |
1 |
拓扑分子极性表面积 |
87.8Ų |