67987-08-0 (氟哌啶醇杂质A,4-4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl-1-4-4-(4-chlorophenyl)-4-hydroxy-1-piperidinylphenyl-1-butanone)

CAS号:
67987-08-0
中文名称:
氟哌啶醇杂质A
英文名称:
4-4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl-1-4-4-(4-chlorophenyl)-4-hydroxy-1-piperidinylphenyl-1-butanone
分子式:
C32H36Cl2N2O3
分子量:
567.545846939087

氟哌啶醇杂质A(67987-08-0)名称与标识符

名称

中文别名:
氟哌啶醇杂质A;氟哌啶醇相关物质A USP标准品;氟哌啶醇杂质D;
英文别名:
Haloperidol Related Compound A;4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-[4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]phen;4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-[4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]phenyl]-1-butanone;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]butan-1-one;UNII-PC902FN76R;4,4′-Bis[4-(p-chlorophenyl)-4-hydroxypiperidino]butyrophenone;4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-{4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]pphenyl}-1-butanon;SCHEMBL3722119;Q27286472;Haloperidol Impurity D;67987-08-0;4,4'-Bis[4-(P-Chlorophenyl)-4-Hydroxypiperidino]-Butyrophenone;AKOS027256032;AS-55014;MFCD27966171;CS-0036722;HALOPERIDOL IMPURITY D [EP IMPURITY];4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)phenyl)butan-1-one;1-BUTANONE, 4-(4-(4-CHLOROPHENYL)-4-HYDROXY-1-PIPERIDINYL)-1-(4-(4-(4-CHLOROPHENYL)-4-HYDROXY-1-PIPERIDINYL)PHENYL)-;DTXSID10218174;PC902FN76R;W12325;KZKALOHEEHRXFT-UHFFFAOYSA-N;HALOPERIDOL IMPURITY D (EP IMPURITY);DTXCID30140665;

标识符

MDL:
MFCD27966171
InChIKey:
KZKALOHEEHRXFT-UHFFFAOYSA-N
Inchi:
1S/C32H36Cl2N2O3/c33-27-9-5-25(6-10-27)31(38)15-20-35(21-16-31)19-1-2-30(37)24-3-13-29(14-4-24)36-22-17-32(39,18-23-36)26-7-11-28(34)12-8-26/h3-14,38-39H,1-2,15-23H2
SMILES:
ClC1C=CC(=CC=1)C1(CCN(CCCC(C2C=CC(=CC=2)N2CCC(C3C=CC(=CC=3)Cl)(CC2)O)=O)CC1)O

氟哌啶醇杂质A(67987-08-0)物化性质

实验特性

  • LogP : 6.43080
  • PSA : 64.01000

计算特性

  • 精确分子量 : 566.21000
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 8
  • 同位素质量 : 566.2102984g/mol
  • 重原子数量 : 39
  • 复杂度 : 772
  • 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) : 5
  • 拓扑分子极性表面积 : 64Ų

氟哌啶醇杂质A(67987-08-0)参考资料

Reaxys RN:
PubChem CID: