CAS: 535-26-2; Apohyoscine

该化合物是属于对流体藻类的化学化合物,在结构上与以抗胆碱基特性而著称的沙波拉胺有关,其特征是能够跨越血压屏障,使其与药物应用有关,特别是在治疗运动疾病和抗乳剂方面;该化合物展示了一系列生物活动,包括对中央...

英文名称Apohyoscine
中文名称东茛菪碱
IUPAC名称[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
其它别名OSCINE ATROPATE; APOHYOSCINE; APOSCOPOLAMINE; a-Methylenebenzeneacetic Acid (1a,2,4,5a,7)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Ester; Aposcopolamin; α-Methylenebenzeneacetic acid (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7α-yl ester; α-Methylenebenzeneacetic acid (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl ester; α-Methylenebenzeneacetic acid (1β,2α,4α,5β,7α)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl ester
CAS编号535-26-2
MFCD编号:MFCD00238538
EINECS号:642-181-4
FDA UNII编号:RQ98RV32RG
分子式:C17H19NO3分子量:285.34
产品CID: 2503864
产品分类天然产物 → 生物碱

相似结构搜索
产品信息参考
InChIKey: JJNVDCBKBUSUII-JGPUMOJJSA-N
1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12 ,13-,14+,15-,16+
计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数4.0

物理性质

熔点95-98 °C
沸点415.5 °C at 760mmHg
闪点205.1 °C
密度1.25g/cm3
pKa:8.03±0.40(预测)
PSA:42.07
LogP:1.7933
折射率1.604
蒸汽压4.11E-07 mmHg at 25 °C
溶解性DMSO: Slightly Soluble W/ Heat; Methanol: Slightly Soluble W/ Sonication
外观形态白色至类白色固体
储存条件-20°C 冷藏

MSDS等安全信息

GHS象形图
GHS符号GHS06;
注释: Skull and crossbones
危险类别急性毒性类别2(吸入)
急性毒性类别2(经皮)
急性毒性类别2(经口)
警示词Danger(危险)
危险描述H330 |吸入致命.
H310 |皮肤接触致命.
H300 |吞咽致命.
防范说明P260-P262-P264-P270-P271-P280-P284-P301+P310-P330-P302+P352-P304+P340-P320-P361+P364-P403+P233-P405-P501

欧盟法规

C&L通报

上下游产品

2-Phenyl-acrylic acid (1S,3S,5R)-8-methyl-8-aza-bicyclo[3.2.1]°Ct-6-en-3-yl ester2,3-Dihydroxy-2-phenyl-propionsaeure-scopinester 2,4]non-7-yl ester2,3-Dihydroxy-2-phenyl-propionic acid (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-aza-tricyclo[3.3.1.02,4]non-7-yl ester (-)-anisodine

合成工艺路线路线简述

📜Alkaline Earth Salt Of/The/ Methylsulfuric Acid 在硫酸体系中,获得 2-Phenyl-Acrylic Acid 9-Methyl-(1Rn,2Th,4Th,5Cn)-3-Oxa-9-Aza-Tricyclo[3.3.1.02,4]Non-7T-Yl Ester
参考文献:Luboldt,Archiv Der Pharmazie,1898,Vol. 236,P. 21
标题:Luboldt,Archiv Der Pharmazie,1898,Vol. 236,P. 21