3964-81-6 (马来酸阿扎他啶,2-(1-methylpiperidin-4-ylidene)-4-azatricyclo9.4.0.0,3,8pentadeca-1(15),3,5,7,11,13-hexaene)

CAS号:
3964-81-6
中文名称:
马来酸阿扎他啶
英文名称:
2-(1-methylpiperidin-4-ylidene)-4-azatricyclo9.4.0.0,3,8pentadeca-1(15),3,5,7,11,13-hexaene
分子式:
C20H22N2
分子量:
290.402084827423
简介:
Azatadine是组胺受体和胆碱受体抑制剂,IC50分别为6.5 nM和10 nM。

马来酸阿扎他啶(3964-81-6)名称与标识符

名称

中文别名:
6,11-二氢-11-(1-甲基-4-哌啶亚基)-5H-苯并[5,6]环庚烷并[1,2-b]吡啶;阿扎他定;马来酸阿扎他啶;
英文别名:
5H-Benzo[5,6]cyclohepta[1,2-b]pyridine,6,11-dihydro-11-(1-methyl-4-piperidinylidene)-;11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[3,4-b]pyridine;Azatadine;11-(1-methyl-piperidin-4-ylidene)-6,11-dihydr;6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;6,11--dihydro-11-(N-methyl-4-piperidylidene)-5H-benzo-[5,6]-cyclohepta-[1,2-b]-pyridine;Azatadina;Azatadina [INN-Spanish];Azatadine [INN:BAN];Azatadine maleate;Azatadinum;Azatadinum [INN-Latin];Azatidine;Optimine;Zadine;2-(1-methylpiperidin-4-ylidene)-4-azatricyclo9.4.0.0,3,8pentadeca-1(15),3,5,7,11,13-hexaene;AB01563291_01;SCHEMBL3721;2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;Dimethyl-2-propynylsulfonium bromide;D07482;Trinalin;FT-0662374;BDBM22868;5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE, 6,11-DIHYDRO-11-(1-METHYL-4-PIPERIDINYLIDENE)-;GTPL7119;AzatadineMaleate;5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-;Tox21_112982;Q599160;HY-B0170;CHEBI:2946;2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;11-(1-Methyl-4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;11-(N-methyl-4-piperidylidene)-6,11-dihydro-5H-benzo-[5,6]-cyclohepta[1,2-b]-pyridine;11-(N-methyl-4-piperidylidene)-6,11-dihydro-5H-benzo-[5,6]-cyclohepta-[1,2-b]-pyridine;6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine;CS-2047;AB01563291_02;NCGC00182705-02;AZATADINE [VANDF];2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;EN300-127917;DTXSID6022636;11-(1-Methyl-4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine #;C07774;NCGC00182705-01;NS00007570;AZATADINE [INN];AZATADINE [MI];DB00719;94Z39NID6C;UNII-94Z39NID6C;2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene;3964-81-6;DTXCID702636;CAS-3964-81-6;AZATADINE [WHO-DD];Azatadine (INN);AKOS030526143;Tox21_112982_1;2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene;CHEMBL946;L001081;BRD-K77821588-364-01-2;BRD-K77821588-050-01-7;

标识符

MDL:
MFCD00242591
InChIKey:
SEBMTIQKRHYNIT-UHFFFAOYSA-N
Inchi:
1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
SMILES:
N1(C)CC/C(=C2/C3C(=CC=CN=3)CCC3C=CC=CC/2=3)/CC1

马来酸阿扎他啶(3964-81-6)物化性质

实验特性

  • LogP : 3.64560
  • PSA : 16.13000
  • 沸点 : 450.1 °C at 760 mmHg
  • 熔点 : 124-126°
  • 闪点 : 226 °C
  • 颜色与性状 : 白色或灰白色结晶粉末
  • 密度 : 1.127

计算特性

  • 精确分子量 : 290.17800
  • 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 : 522.200216
  • 重原子数量 : 22
  • 复杂度 : 536
  • 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 : 2
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 3
  • 疏水参数计算参考值(XlogP) : 3.6
  • 拓扑分子极性表面积 : 165

马来酸阿扎他啶(3964-81-6)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%