38092-89-6 (氯雷他定杂质B,N-Methyl Desloratadine)

CAS号:
38092-89-6
中文名称:
氯雷他定杂质B
英文名称:
N-Methyl Desloratadine
分子式:
C20H21ClN2
分子量:
324.847143888474

氯雷他定杂质B(38092-89-6)名称与标识符

名称

中文别名:
氯雷他定杂质B;8-氯-6,11-二氢-11-(N-甲基-4-哌啶亚基)-5H-苯并[5,6]环庚基[1,2-b]吡啶;甲基氯雷他定;N-甲基氯雷他定;8-氯-6,11-二氢-11-(1-甲基-4-哌啶叉)-5H-苯并[5,6]环庚烷[1,2-b]吡啶;甲基-氯雷他定;氯雷他定EP杂质G;氯雷他定环化物;氯雷他定杂质G(EP) 标准品;N-甲基地氯雷他定;氯雷他定相关物质B;甲基氯雷他定 1KG;地氯雷他定N-甲基杂质;氯雷他定相关杂质B;8-氯-6,11-二氢-11-(1-甲基-4-哌啶叉)-5H-苯并[5;
英文别名:
Loratadine Related Compound B;N-Methyl Desloratadine;8-Chloroazatadine;8-Chloro-5,6-dihydro-11H-benzo[5,6]Cyclohepto[1,2-b]pyridine-11-one;N-Methyl Desloratadi;5H-Benzo[5,6]cyclohepta[1,2-b]pyridine,8-chloro-6;8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;8-Chloro-6,11-dihydro-11(N-Methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;N-Methyldesloratadine;8-Chloro azatadine;70V8053T5G;AK161939;C20H21ClN2;Methyl loratadine;8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridine;DTXSID40191502;LORATADINE IMPURITY G [EP IMPURITY];MFCD06411084;13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;8-chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine;AC-26333;Q27265894;38092-89-6;LORATADINE EP IMPURITY G (USP RC B);Loratadine Imp. G (EP); Loratadine USP Related Compound B; Loratadine USP RC B; 8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Loratadine Related Compound B; Loratadine Impurity G;BDBM50031228;BCP31809;CHEMBL420316;AKOS005216035;13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;8-chloro-6,11-dihydro- 11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;UNII-70V8053T5G;DS-7427;FT-0671893;8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;CS-0151108;Loratadine EP Impurity G;A856099;SCHEMBL4460572;5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-;VLXSCTINYKDTKR-UHFFFAOYSA-N;8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo-[5,6]-cyclohepta-[1,2-b]-pyridine;N-Methyl Desloratadine;8-Chloroazatadine;N-Methyldesloratadine;SY110869;Loratadine impurity G [EP];8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta-[1,2-b]pyridine;8-chloro-11-(1-methyl-4-piperidylidenel-5,11)-dihydro-5H-benzo5,6-cyclohepta;6,11ihydro-5H-Benzo-5,6Cyclohepta-L,2-BPyridine,Loratadine;8-Chloro-11-(1-Methyl-4-Piperidinylidene)-6, 11-dihydro 5H-Benzo [5,6] cyclohepta (1,2-b) Pyridine;6,11 –Dihydro- 5H- Benzo-5,6Cyclohepta- L,2-B Pyridine, Loratadine,;8-chloro-11-(1-methyl-4-piperidylidenel-5,11)-dihydro-5H-benzo〔5,6〕-cyclohepta〔1,2-b〕pyridine;8-CHLORO-6,11-DIHYDRO-11-(1-METHYL-4-PIPERIDINYLIDENE)-5H-BENZO[5,6] CYCLOHEPTA [1,2-B]PYRIDINE =99%;8-CHLORO-11-(L-METHYL-4-PIPERIDINYLIDENE-6,11-DIHYDRO-5H-BENZO[5.6])CYCLOHEPTA[L,2-B]PYRIDINE;8-CHLORO-11-(1-METHYL-4-PIPERIDYLIDENEL-5,11)-DIHYDRO-5H-BENZOK5,6L-CYCLOHEPTA;STL481882;Loratadine impurity G;LORATADINE IMPURITY G (EP IMPURITY);DTXCID10113993;5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-;DB-002621;

标识符

MDL:
MFCD06411084
InChIKey:
VLXSCTINYKDTKR-UHFFFAOYSA-N
Inchi:
1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
SMILES:
ClC1C=CC2=C(C=1)CCC1=CC=CN=C1/C/2=C1\CCN(C)CC\1

氯雷他定杂质B(38092-89-6)物化性质

实验特性

  • LogP : 4.29900
  • PSA : 16.13000
  • 折射率 : 1.622
  • 沸点 : 474.3°C at 760 mmHg
  • 熔点 : 106-109°C
  • 蒸气压 : No data available
  • 闪点 : 240.7±28.7 °C
  • 颜色与性状 : No data avaiable
  • 酸度系数(pKa) : 8.67±0.20(Predicted)
  • 密度 : 1.2±0.1 g/cm3

计算特性

  • 精确分子量 : 324.13900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 324.1393264g/mol
  • 重原子数量 : 23
  • 复杂度 : 451
  • 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) : 4.2
  • 拓扑分子极性表面积 : 16.1

氯雷他定杂质B(38092-89-6)国际标准相关数据

EINECS:
641-012-1

氯雷他定杂质B(38092-89-6)海关数据

海关编码:
2933399090