CAS: 127017-74-7; (3R,4S)-3-((Benzo[d][1,3]Dioxol-5-Yloxy)Methyl)-4-(4-Methoxyphenyl)Piperidine Hydrochloride

• 英文名称(3R,4S)-3-((Benzo[d][1,3]Dioxol-5-Yloxy)Methyl)-4-(4-Methoxyphenyl)Piperidine Hydrochloride
• 中文名称rac-反式-4-脱氟-4-甲氧基帕罗西汀盐酸盐
• IUPAC名称(3R,4S)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-methoxyphenyl)piperidine hydrochloride
• CAS编号127017-74-7
• MFCD编号:MFCD18379311
• FDA UNII编号:ETK9IKM6NH
• 分子式:C20H24ClNO4分子量:377.87
• 产品CID: 429436
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

• 相似结构搜索
• InChIKey: WGRXGIJCIOCNHB-NKGQWRHHSA-N
• InChI=1S/C20H23NO4.ClH/c1-22-16-4-2-14(3-5-16)18-8-9-21-11-15(18)12-23-17-6-7-19-20(10-17)25-13-24-19;/h2-7,10,15,18,21H,8-9,11-13H2,1H3;1H/t15-,18-;/m1./s1
• 计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数5.0

物理性质

• 熔点>59°C (分解)
• PSA:48.95
• LogP:4.3268
• 溶解性甲醇(微溶),水(微溶)
• 储存条件Hygroscopic, -20 °C Freezer, Under inert atmosphere
• 产品应用该化合物用于脑细胞的钙过载阻塞器有用.

MSDS等安全信息

• 警示词Warning
• 危险描述H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
  H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
  H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
• 防范说明P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P318, P319, P330, P337+P317, P391, P403+P233, P405, and P501

合成工艺路线路线简述

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2905121000-正丙醇
  2907210001-间苯二酚
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管