76811-96-6 (4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-alpha,alpha-二甲基苯乙酸乙酯盐酸盐,Ethyl4-(4-4-(hydroxydiphenylmethyl)-1-piperidinyl-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetateHydrochloride)

CAS号:
76811-96-6
中文名称:
4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-alpha,alpha-二甲基苯乙酸乙酯盐酸盐
英文名称:
Ethyl4-(4-4-(hydroxydiphenylmethyl)-1-piperidinyl-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetateHydrochloride
分子式:
C34H42ClNO4
分子量:
564.154589176178

4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-alpha,alpha-二甲基苯乙酸乙酯盐酸盐(76811-96-6)名称与标识符

名称

中文别名:
4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-alpha,alpha-二甲基苯乙酸乙酯盐酸盐;4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-a,a-二甲基苯甲酸乙酯盐酸盐;4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-alpha,alpha-二甲基***乙酯盐酸盐;
英文别名:
Ethyl 4-{4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl}-alpha,alpha-dimethylbenzeneacetate hydrochloride;4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-a,a-dimethyl-benzeneacetic acid ethyl ester hydrochloride;ethyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate,hydrochloride;O879;DTXSID20513501;FT-0641613;4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid, ethyl ester hydrochloride;XAGIKTXVRKZQRW-UHFFFAOYSA-N;ethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl)-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetate, hydrochloride;ethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]1-oxobutyl]-alpha,alpha-dimethylbenzeneacetate, hydrochloride;AKOS017343940;4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid, ethyl ester hydrochloride;SCHEMBL2235075;Ethyl4-{4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl}-alpha,alpha-dimethylbenzeneacetatehydrochloride;ethyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate;hydrochloride;76811-96-6;ethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl ]-alpha,alpha-dimethylbenzeneacetate, hydrochloride;ethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetate hydrochloride;ethyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]butanoyl]phenyl]-2-methyl-propanoate hydrochloride;AC-8057;4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl] -alpha,alpha-dimethylbenzeneacetic acid, ethyl ester hydrochloride;ethyl 4-[4-[4-[hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetate, hydrochloride;4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha, alpha-dimethylbenzeneacetic Acid, Ethyl Ester Hydrochloride;ethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetate, hydrochloride;Ethyl 2-[4-(4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butanoyl)phenyl]-2-methylpropanoate--hydrogen chloride (1/1);4-[4-[4-(Hydroxydiphenylmethyl]-1-piperidinyl)-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid, ethyl ester hydrochloride;

标识符

InChIKey:
XAGIKTXVRKZQRW-UHFFFAOYSA-N
Inchi:
1S/C34H41NO4.ClH/c1-4-39-32(37)33(2,3)27-19-17-26(18-20-27)31(36)16-11-23-35-24-21-30(22-25-35)34(38,28-12-7-5-8-13-28)29-14-9-6-10-15-29;/h5-10,12-15,17-20,30,38H,4,11,16,21-25H2,1-3H3;1H
SMILES:
Cl.OC(C1C=CC=CC=1)(C1C=CC=CC=1)C1CCN(CCCC(C2C=CC(=CC=2)C(C(=O)OCC)(C)C)=O)CC1

4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-alpha,alpha-二甲基苯乙酸乙酯盐酸盐(76811-96-6)物化性质

实验特性

  • LogP : 6.87820
  • PSA : 66.84000

计算特性

  • 精确分子量 : 563.28000
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 12
  • 同位素质量 : 563.2802365g/mol
  • 重原子数量 : 40
  • 复杂度 : 748
  • 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 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 66.8Ų

4-{4-[4-(羟基二苯甲基)-1-哌啶基]-1-氧代丁基}-alpha,alpha-二甲基苯乙酸乙酯盐酸盐(76811-96-6)推荐厂家 更多厂家(2)