H3F
概要
| 表記: | Tafenoquine |
| 別名: | (4S)-N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine |
| 組成式: | C24 H28 F3 N3 O3 |
| 電荷: | 0 |
| 化学式量: | 463.493 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-~{N}4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | LBHLFPGPEGDCJG-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C)c2c(Oc3cccc(c3)C(F)(F)F)c(OC)cc(N[C@@H](C)CCCN)c2n1 |
| SMILES | CACTVS | 3.385 | COc1cc(C)c2c(Oc3cccc(c3)C(F)(F)F)c(OC)cc(N[CH](C)CCCN)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1c(c(cc2N[C@@H](C)CCCN)OC)Oc3cccc(c3)C(F)(F)F)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1c(c(cc2NC(C)CCCN)OC)Oc3cccc(c3)C(F)(F)F)OC |
