英文名称:
Aprepitant
CAS号:
170729-80-3
分子式:
C23H21F7N4O3
分子量:
534.43
EINECS号:
677-636-6
MDL No.:
MFCD08277635
熔点
244-246°C
比旋光度
D25 +69° (c = 1.00 in methanol)
密度
1.51±0.1 g/cm3(Predicted)
储存条件
Sealed in dry,2-8°C
溶解度
Soluble in DMSO (>25 mg/ml)
形态
powder
酸度系数(pKa)
8.06±0.20(Predicted)
颜色
white to beige
旋光度 (Optical Rotation)
[α]/D +61 to +71°, c = 1.0 in methanol
稳定性
Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
InChIKey
ATALOFNDEOCMKK-OITMNORJSA-N
SMILES
N1C(CN2CCO[C@H](O[C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C)[C@@H]2C2=CC=C(F)C=C2)=NC(=O)N1
CAS 数据库
170729-80-3(CAS DataBase Reference)
危险性符号(GHS)
GHS07,GHS08
警示词
Warning
危险性描述
H319-H351
防范说明
P501-P202-P201-P264-P280-P308+P313-P337+P313-P305+P351+P338-P405
WGK Germany
WGK 3
海关编码
2934990002
存储类别
11 - Combustible Solids
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