1260138-03-1
中文名稱
盧拉西酮雜質(zhì)I
英文名稱
Lurasidon hydrochloride iMpurity
CAS
1260138-03-1
分子式
C19H28N4S
分子量
344.52
MOL 文件
1260138-03-1.mol
1260138-03-1 結(jié)構(gòu)式
基本信息
中文別名
盧拉西酮雜質(zhì)盧拉西酮雜質(zhì)I
魯拉西酮雜質(zhì)(3個)
N-[1R,2R-(2-METHYLAMINO)CYCLOHEX-1-YL)METHYL]-N'-(1,2-BENZISOTHIAZOL-3-YL)PIPERAZINE
英文別名
lurasidone-22Lurasidone IMP
Lurasidone Impurity
Lurasidone Impurity I
Lurasidon hydrochloride iMpurity
((1R,2R)-2-((4-(benzo[d]isothiazol-3-yl)
[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methanamine
N-[1R,2R-(2-Methylamino)cyclohex-1-yl)methyl]-N’-(1,2-benzisothiazol-3-yl)piperazine
((1R,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methanamine
((1R,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methanamine
所屬類別
有機原料：酮類化合物物理化學(xué)性質(zhì)
沸點452.2±45.0 °C(Predicted)
密度1.170±0.06 g/cm3(Predicted)
溶解度soluble in Chloroform, Ethanol
酸度系數(shù)(pKa)10.27±0.29(Predicted)
形態(tài)Oil
顏色Yellow
InChIInChI=1S/C19H28N4S/c20-13-15-5-1-2-6-16(15)14-22-9-11-23(12-10-22)19-17-7-3-4-8-18(17)24-21-19/h3-4,7-8,15-16H,1-2,5-6,9-14,20H2/t15-,16-/m0/s1
InChIKeyISNHCWHFMIPSEZ-HOTGVXAUSA-N
SMILES[C@@H]1(CN)CCCC[C@H]1CN1CCN(C2C3=C(SN=2)C=CC=C3)CC1