202189-76-2
中文名称
4-[1-(4,5-二氢-4,4-二甲基-2-恶唑基)-1-甲基乙基]苯乙醇对甲苯磺酸酯
英文名称
Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)
CAS
202189-76-2
分子式
C23H29NO4S
分子量
415.55
MOL 文件
202189-76-2.mol
更新日期
2024/07/29 13:13:30
202189-76-2 结构式
基本信息
中文别名
比拉斯汀杂质CBILASTINE杂质3
4-甲基苯磺酸4-(2-(4,4-二甲基-4,5-二氢噁唑-2-基)丙-2-基)苯乙基酯
4-(2-(4,4-二甲基-4,5-二氢恶唑-2-基)丙-2-基)苯乙基4-甲基苯磺酸盐
4-甲基苯磺酸4-(2-(4,4-二甲基-4,5-二氢恶唑-2-基)丙-2-基)苯乙基酯
4-[1-(4,5-二氢-4,4-二甲基-2-恶唑基)-1-甲基乙基]苯乙醇对甲苯磺酸酯
英文别名
Bilastine impurity C2-[4-[1-(4,4-Dimethyl-5H-Oxazol-2-Yl)-1- Methyl-Ethyl]Phenyl
4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate
2-[4-[1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate
4 - (2 - (4,4-dimethyl-4,5-dihydroxazol-2-yl) propyl-2-yl) phenylethyl 4-methylbenzene sulfonate
Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 1-(4-methylbenzenesulfonate)
Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)
所属类别
医药中间体：原料药中间体物理化学性质
沸点545.1±45.0 °C(Predicted)
密度1.14±0.1 g/cm3(Predicted)
蒸气压0Pa at 25℃
储存条件Sealed in dry,2-8°C
溶解度soluble in Dichloromethane;
酸度系数(pKa)5.78±0.70(Predicted)
水溶解性5.717μg/L at 25℃
InChIInChI=1S/C23H29NO4S/c1-17-6-12-20(13-7-17)29(25,26)28-15-14-18-8-10-19(11-9-18)23(4,5)21-24-22(2,3)16-27-21/h6-13H,14-16H2,1-5H3
InChIKeyBGUOPDZOVDIWLE-UHFFFAOYSA-N
SMILESC(C1C=CC(CCOS(C2C=CC(C)=CC=2)(=O)=O)=CC=1)(C1OCC(C)(C)N=1)(C)C
LogP6.6
