CAS: 357424-21-6; Hydroxy Varenicline

该化合物是一个复杂的有机化合物,其特点是独特的双环结构,包括了丙和苯并氨酸奶.该化合物具有引信环状系统,有助于其潜在的生物活动.多种功能组的存在,包括一个氯酮,增强了其再活性,并可能影响其与生物目标的相互作用.一般而言,这种化合物对医药化学具有兴趣,因为它们具有潜在的药理特性,包括...

英文名称Hydroxy Varenicline
中文名称羟基伐尼克兰
IUPAC名称1,6,7,8,9,10-hexahydro-2H-6,10-methanoazepino[4,5-g]quinoxalin-2-one
其它别名1,6,7,8,9,10-Hexahydro-6,10-Methano-2H-Pyrazino[2,3-H][3]Benzazepin-2-One; Varenicline Hydroxy Impurity; 6,10-Methano-2H-Pyrazino[2,3-H][3]Benzazepin-2-One, 1,6,7,8,9,10-Hexahydro-; 1,6,7,8,9,10-Hexahydro-2H-6,10-Methanoazepino[4,5-G]Quinoxalin-2-One; Hydroxy Varenicline
CAS编号357424-21-6
MFCD编号:MFCD18252483
FDA UNII编号:10AHF7CQQ6
分子式:C13H13N3O分子量:227.27
产品CID: 1366192
产品分类有机原料→分子砌块→芳杂环类化合物→其它芳杂环类化合物

相似结构搜索
InChIKey: GKJIHIDMYKLTHW-UHFFFAOYSA-N
InChI=1S/C13H13N3O/c17-13-6-15-11-2-9-7-1-8(5-14-4-7)10(9)3-12(11)16-13/h2-3,6-8,14H,1,4-5H2,(H,16,17)
计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数*

物理性质

熔点292-294°C
沸点292-294 °C
PSA:57.78
LogP:1.0972
溶解性Aqueous Acid (Slightly), DMF (Slightly)
外观形态淡黄色至淡黄色固体
储存条件冰箱

MSDS等安全信息

上下游产品

15H12F3N3O2C15H12F3N3O2

合成工艺路线路线简述

海关参考信息

2902600000-乙苯
2902700000-异丙基苯
2921199090-其他无环单胺
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-7205300-B2
优先权日:1997-12-31
标题:Aryl fused azapolycyclic compounds
发明人：COE JOTHAM WADSWORTH; BROOKS PAIGE ROANNE PALMER
权利人:PFIZER
摘要:This invention is directed to compounds of the formula (I): n nand their pharmaceutically acceptable salts, wherein R 1 , R 2 , and R 3 are as defined herein; intermediates for the synthesis of such compounds, pharmaceutical compositions containing such compounds; and methods of using such compounds in the treatment of neurological and psychological disorders.

专利号:US-6858624-B2
优先权日:2001-11-30
标题:Aryl fused azapolycyclic compounds
发明人：HAGEN ANNE E; OBACH R SCOTT
权利人:PFIZER; PFIZER PROD INC
摘要:This invention is directed to compounds of the formula (I): n n nand their pharmaceutically acceptable salts, wherein R 1 , R 2 , and R 3 are as defined herein; intermediates for the synthesis of such compounds, pharmaceutical compositions containing such compounds; and methods of using such compounds in the treatment of nicotine addiction/withdrawal and CNS disorders.