| 中文名 | 大环哌喃 |
| 英文名 | Tacrolimus |
| 别名 | 大环哌喃 他克莫斯 泰克利马 他克莫司 他可莫司 他克莫司标准品 他克莫司FK-506 他可莫司(FK506) |
| 英文别名 | FK-506 L679934 Protopic Tacrolimus Tacarolimus ,19s*,26ar*))- FujimycinProzraf 16-dimethoxy-4,10,12,18-tetramethyl-8-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1 3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-9,10,12, (2-propenyl)-,(3s-(3r*(e(1s*,3s*,4s*)),4s*,5r*,8s*,9e,12r*,14r*,15s*,16r*,18s* (3S,4R,5S,8R,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-prop-2-en-1-yl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone (3S,4R,5S,8R,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-,[3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*]]- |
| CAS | 104987-11-3 |
| EINECS | 1308068-626-2 |
| 化学式 | C44H69 N O12 |
| 分子量 | 804.02 |
| InChI | InChI=1/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19-,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 |
| InChIKey | QJJXYPPXXYFBGM-LFZNUXCKSA-N |
| 密度 | 1.19±0.1 g/cm3(Predicted) |
| 熔点 | 113-115°C |
| 沸点 | 871.7±75.0 °C(Predicted) |
| 比旋光度 | -84.4 (c, 1.02 in CHCl3) |
| 闪点 | 2℃ |
| 水溶性 | Freely soluble in DMSO or ethanol. Poorly soluble in water.Solublein dimethyl sulfoxide, ethanol, water, acetone, chloroform, ethylacetate, ether, methanol and dimethyl formamide. |
| 蒸汽压 | 1.73E-35mmHg at 25°C |
| 溶解度 | DMSO: >3mg/mL |
| 折射率 | 1.549 |
| 酸度系数 | 9.97±0.70(Predicted) |
| 存储条件 | Sealed in dry,Store in freezer, under -20°C |
| 稳定性 | Stable for 2 years from date of purchase as supplied. Solutions inDMSO or ethanol may be stored at -20°C for up to 2 months. |
| 外观 | solid |
| 颜色 | white |
| 物化性质 | 单水合物：C44H69NO12?H2O。从乙腈中得无色棱状结晶，熔点127～129℃。[α]D20-84.4°(C=1.02，氯仿)。溶于甲醇、乙醇、丙酮、乙酸乙酯、氯仿或yimi，难溶于己烷或石油醚，不溶于水。急性毒性LD50小鼠(mg／kg)：＞200腹腔注射。急性毒性LD50雄、雌大鼠(mg/kg)：57．0，23.6静脉注射；134，194口服。 |
