泊沙康唑非对映异构体相关化合物1 基本信息
| 中文名称 | 泊沙康唑非对映异构体相关化合物1 |
|---|---|
| 中文同义词 | 联苯酚对甲苯磺酸酯;泊沙康唑杂质11;泊沙康唑非对映异构体中间体1;泊沙康唑杂质、联苯酚对甲苯磺酸酯;泊沙康唑非对映异构体相关化合物1;泊沙康唑非相关化合物;泊沙康唑杂质SM2-RR;(3R,5R)-甲苯-4-磺酸-5-(2,4-二氟苯基)-5-(1H-1,2,4-三氮唑-1-基)甲基四氢呋喃-3-基甲基酯 |
| 英文名称 | Toluene-4-sulfonic acid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl |
| 英文同义词 | Posaconazole DiastereoisoMer interMediate 1;Posaconazole Impurity 11;Posaconazole Diastereoisomer Related Compound 1;(5R-trans)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3-ylmethyl Ester;1-((2S,3R)-2-hydroxypentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one hydrochloride;Posacozole Diastereoisomer Related Compound 1;Posaconazole Related Compound;D-erythro-Pentitol, 1,4-anhydro-2,3,5-trideoxy-4-C-(2,4-difluorophenyl)-2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-5-(1H-1,2,4-triazol-1-yl)- |
| CAS号 | 159811-30-0 |
| 分子式 | C21H21F2N3O4S |
| 分子量 | 449.47 |
| EINECS号 | |
| 相关类别 | 对照品-杂质对照品;泊沙康唑;杂质对照品 |
| Mol文件 | 159811-30-0.mol |
| 结构式 |  |
泊沙康唑非对映异构体相关化合物1 性质
| 沸点 | 608.1±65.0 °C(Predicted) |
|---|---|
| 密度 | 1.40±0.1 g/cm3(Predicted) |
| 酸度系数(pKa) | 2.75±0.10(Predicted) |
| InChI | InChI=1/C21H21F2N3O4S/c1-14-3-6-20(31(27,28)29-2)17(7-14)15-9-21(30-10-15,11-26-13-24-12-25-26)18-5-4-16(22)8-19(18)23/h3-8,12-13,15H,9-11H2,1-2H3/t15-,21-/s3 |
| InChIKey | SVRQEEHLAKTYHP-TWAXCLBUNA-N |
| SMILES | C1(S(OC)(=O)=O)=CC=C(C)C=C1[C@H]1C[C@@](C2=CC=C(F)C=C2F)(CN2C=NC=N2)OC1 |&1:12,14,r| |