51771-50-7 (4-[(二甲基氨基)甲基]-5-羟基-2-苯基-3-苯并呋喃羧酸乙酯盐酸盐,ethyl 4-(dimethylamino)methyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate hydrochloride)

CAS号:
51771-50-7
中文名称:
4-[(二甲基氨基)甲基]-5-羟基-2-苯基-3-苯并呋喃羧酸乙酯盐酸盐
英文名称:
ethyl 4-(dimethylamino)methyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate hydrochloride
分子式:
C20H22ClNO4
分子量:
375.845984935761

4-[(二甲基氨基)甲基]-5-羟基-2-苯基-3-苯并呋喃羧酸乙酯盐酸盐(51771-50-7)名称与标识符

名称

中文别名:
4-[(二甲基氨基)甲基]-5-羟基-2-苯基-3-苯并呋喃羧酸乙酯盐酸盐;
英文别名:
3-Benzofurancarboxylicacid, 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-, ethyl ester, hydrochloride(1:1);(3-ethoxycarbonyl-5-hydroxy-2-phenyl-1-benzofuran-4-yl)methyl-dimethylazanium,chloride;fenicoberan;2-Phenyl-3-carbethoxy-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochloride;3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-phenyl-, ethyl ester, hydrochl;4-((Dimethylamino)methyl)-5-hydroxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester HCl;4-Dimethylaminomethyl-3-ethoxycarbonyl-5-hydroxy-2-phenylbenzofuran hydrochloride;fenikaberan;Fenikaberan [Russian];Phenicaberan;Phenykaberan;Phenykoberan;ethyl 4-(dimethylamino)methyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate hydrochloride;3-BENZOFURANCARBOXYLIC ACID, 4-((DIMETHYLAMINO)METHYL)-5-HYDROXY-2-PHENYL-, ETHYL ESTER, HYDROCHLORIDE (1:1);51771-50-7;AKOS005267150;SR-01000420317-1;VN3G1SZ0D6;F0308-0009;Q27291914;CS-0368553;ethyl 4-((dimethylamino)methyl)-5-hydroxy-2-phenylbenzofuran-3-carboxylate hydrochloride;MFCD00377484;Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate--hydrogen chloride (1/1);VS-07506;DTXSID50966081;VINBORON;2-phenyl-3-ethoxycarbonyl-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochloride;FT-0684330;PHENICABERAN HYDROCHLORIDE [WHO-DD];Z56813243;ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate;hydrochloride;3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-phenyl-, ethyl ester, hydrochloride;phenicaberan hydrochloride;EN300-03078;ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate hydrochloride;SR-01000420317;

标识符

MDL:
MFCD00377484
InChIKey:
OBTUDMCEULZBKV-UHFFFAOYSA-N
Inchi:
1S/C20H21NO4.ClH/c1-4-24-20(23)18-17-14(12-21(2)3)15(22)10-11-16(17)25-19(18)13-8-6-5-7-9-13;/h5-11,22H,4,12H2,1-3H3;1H
SMILES:
Cl.O1C(C2C=CC=CC=2)=C(C(=O)OCC)C2=C1C=CC(=C2CN(C)C)O

4-[(二甲基氨基)甲基]-5-羟基-2-苯基-3-苯并呋喃羧酸乙酯盐酸盐(51771-50-7)物化性质

实验特性

  • PSA : 65.24

计算特性

  • 精确分子量 : 352.9516
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 6
  • 同位素质量 : 375.1237359g/mol
  • 重原子数量 : 26
  • 复杂度 : 449
  • 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 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 62.9Ų

4-[(二甲基氨基)甲基]-5-羟基-2-苯基-3-苯并呋喃羧酸乙酯盐酸盐(51771-50-7)参考资料

Reaxys RN:
PubChem CID: