170098-28-9 ((S)-2-苄基-3-((3r,4r)-4-(3-羟基苯基)-3,4-二甲基哌啶-1-基)丙酸甲酯盐酸盐,(S)-Methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate hydrochloride)

CAS号:
170098-28-9
中文名称:
(S)-2-苄基-3-((3r,4r)-4-(3-羟基苯基)-3,4-二甲基哌啶-1-基)丙酸甲酯盐酸盐
英文名称:
(S)-Methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate hydrochloride
分子式:
C24H32ClNO3
分子量:
417.968786239624

(S)-2-苄基-3-((3r,4r)-4-(3-羟基苯基)-3,4-二甲基哌啶-1-基)丙酸甲酯盐酸盐(170098-28-9)名称与标识符

名称

中文别名:
(S)-2-(((3R,4R)-4-(3-羟基苯基)-3,4-二甲基哌啶-1-基)甲基)苯丙酸甲酯盐酸盐;(S)-2-苄基-3-((3r,4r)-4-(3-羟基苯基)-3,4-二甲基哌啶-1-基)丙酸甲酯盐酸盐;(S)-2-(((3R,4R)-4-(3-羟基苯基)-3,4-二甲基哌啶-1-基)甲基)苯丙酸甲酯盐;
英文别名:
(S)-Methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate hydrochloride;(S)-2-BENZYL-3-[(3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYL PIPERIDIN-1-YL]PROPANOIC ACID METHYL ESTER HYDROCHLORIDE;AK-87440;ANW-65871;CTK8C1096;KB-211825;SureCN6271253;(S)-Methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate hydro;(S)-Methyl 2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoate hydrochl;(S)-2-(((3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)methyl)-3-phenylpropanoic acid methyl ester hydrochloride;1-Piperidinepropanoic acid, 4-(3-hydroxyphenyl)-3,4-diMethyl-α-(phenylMethyl)-, Methyl ester, hydrochloride (1:1), (αS,3R,4R)-;CS-M1868;(S)-Methyl2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoatehydrochloride;(s)-2-(((3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethyl piperidin-1-yl)methyl)-3-phenylpropanoic acid methyl ester hcl;(alphaS,3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-alpha-(phenylmethyl)-1-piperidinepropanoic acid methyl ester hydrochloride;(S)-2-(((3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)methyl)-3-phenylpropanoic acid methyl;STVBVOVJMOPCKS-PHEILAHGSA-N;methyl (2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate;hydrochloride;SCHEMBL6271253;CS-13245;170098-28-9;(S)-METHYL 2-BENZYL-3-((3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYLPIPERIDIN-1-YL)PROPANOATE HCL;Methyl (2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoate--hydrogen chloride (1/1);CID 9909905;DB-328153;AKOS016005655;DTXSID90432715;(S)-METHYL2-BENZYL-3-((3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYLPIPERIDIN-1-YL)PROPANOATE HYDROCHLORIDE;(S)-2-benzyl-3-[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-diMethylpiperidin-1-yl]propanoic acid Methyl ester hydrochloride;

标识符

MDL:
MFCD19440819
InChIKey:
STVBVOVJMOPCKS-PHEILAHGSA-N
Inchi:
1S/C24H31NO3.ClH/c1-18-16-25(13-12-24(18,2)21-10-7-11-22(26)15-21)17-20(23(27)28-3)14-19-8-5-4-6-9-19;/h4-11,15,18,20,26H,12-14,16-17H2,1-3H3;1H/t18-,20-,24+;/m0./s1
SMILES:
Cl.O(C)C([C@@H](CC1C=CC=CC=1)CN1CC[C@@](C)(C2C=CC=C(C=2)O)[C@@H](C)C1)=O

(S)-2-苄基-3-((3r,4r)-4-(3-羟基苯基)-3,4-二甲基哌啶-1-基)丙酸甲酯盐酸盐(170098-28-9)物化性质

计算特性

  • 精确分子量 : 417.2070716g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 7
  • 同位素质量 : 417.2070716g/mol
  • 重原子数量 : 29
  • 复杂度 : 504
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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
  • 拓扑分子极性表面积 : 49.8Ų

(S)-2-苄基-3-((3r,4r)-4-(3-羟基苯基)-3,4-二甲基哌啶-1-基)丙酸甲酯盐酸盐(170098-28-9)推荐厂家 更多厂家(6)