152542-00-2 (利培酮杂质G,3-[2-[4-(4-Fluoro-2-hydroxybenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one)

CAS号:
152542-00-2
中文名称:
利培酮杂质G
英文名称:
3-[2-[4-(4-Fluoro-2-hydroxybenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
分子式:
C23H28FN3O3
分子量:
413.485129356384

利培酮杂质G(152542-00-2)名称与标识符

名称

中文别名:
3-[2-[4-(4-氟-2-羟基苯甲酰基)-1-哌啶基]乙基]-6,7,8,9-四氢-2-甲基-4H-吡啶并[1,2-a]嘧啶-4-酮;利培酮2-乙氨基杂质;利培酮代谢物;利培酮相关化合物G USP标准品;利培酮杂质F(EP) 标准品;利培酮杂质G;利培酮 相关物质G;
英文别名:
3-[2-[4-(4-Fluoro-2-hydroxybenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one;3-[2-[4-(4-Fluoro-2-hydroxybenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a;3-[2-[4-(4-fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;R 72111;Risperidone Metabolite;Risperidone Related CoMpound G;Risperidone 2-Hydroxybenzoyl IMpurity;3-[2-[4-((E)-(4-Fluoro-2-hydroxybenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-Methyl-4H-pyrido[1,2-a]pyriMidin-4-one;3-[2-[4-(4-Fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one;3-[2-[4-(4-Fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one; Risperidone Related Compound G;CS-0257544;4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(4-fluoro-2-hydroxybenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-;3-{2-[4-(4-fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethyl}-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one;3-(2-(4-(4-Fluoro-2-hydroxybenzoyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one;CHEMBL4977966;152542-00-2;3-(2-{4-[(4-fluoro-2-hydroxyphenyl)carbonyl]piperidin-1-yl}ethyl)-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one;Z3244600132;DTXSID80747805;R-72111;6P-096;Risperidone ketone;3-{2-[4-(4-Fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one;Risperidone related compound G [USP IMPURITY];AKOS025393984;US9NMV9U24;

标识符

InChIKey:
JPJZOAXKSNJOGJ-UHFFFAOYSA-N
Inchi:
1S/C23H28FN3O3/c1-15-18(23(30)27-10-3-2-4-21(27)25-15)9-13-26-11-7-16(8-12-26)22(29)19-6-5-17(24)14-20(19)28/h5-6,14,16,28H,2-4,7-13H2,1H3
SMILES:
FC1C=CC(=C(C=1)O)C(C1CCN(CCC2=C(C)N=C3CCCCN3C2=O)CC1)=O

利培酮杂质G(152542-00-2)物化性质

实验特性

  • LogP : 2.80800
  • PSA : 75.43000
  • 溶解度 : 几乎不溶 (0.039 g/L) (25 ºC),
  • 密度 : 1.33±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 413.21100
  • 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 : 413.21146993g/mol
  • 重原子数量 : 30
  • 复杂度 : 742
  • 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) : 2.7
  • 拓扑分子极性表面积 : 73.2Ų

利培酮杂质G(152542-00-2)参考资料

Reaxys RN:
PubChem CID: