72797-41-2
中文名称
噻萘普汀
英文名称
TIANEPTINE
CAS
72797-41-2
分子式
C21H25ClN2O4S
分子量
436.95
MOL 文件
72797-41-2.mol
更新日期
2023/09/11 10:54:32
72797-41-2 结构式
基本信息
中文别名
7-[(3-氯-6-甲基-5,5-二氧代二苯并[1,2]硫氮杂卓-11-基)氨基]庚酸 英文别名
TPI-1062Tianeptin
JNJ-39823277
Einecs 276-851-9
7-[(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid
7-((3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino)heptanoic acid
(1)-7-((3-Chloro-6,11-dihydro-6-methyldibenzo(C,F)(1,2)thiazepin-11-yl)amino)heptanoic acid S,S-dioxide
(±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide
所属类别
化学试剂：多环化合物物理化学性质
熔点129-131?C
沸点609.2±65.0 °C(Predicted)
密度1.38±0.1 g/cm3(Predicted)
蒸气压0.001Pa at 25℃
储存条件Refrigerator, Under Inert Atmosphere
酸度系数(pKa)4.75±0.10(Predicted)
形态solid
InChIInChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)
InChIKeyJICJBGPOMZQUBB-UHFFFAOYSA-N
SMILESC(O)(=O)CCCCCCNC1C2=CC=C(Cl)C=C2S(=O)(=O)N(C)C2=CC=CC=C21
LogP2.162 at 25℃ and pH6
