| 英文名 | TACROLIMUS |
| IUPAC Name | (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone;hydrate |
| 分子结构 |  |
| CAS编号 | 109581-93-3 |
| EINECS Number | No data available |
| MDL Number | MFCD11045918 |
| Beilstein Registry Number | No data available |
| 别名 | tacrolimus; Fujimycin; Prograf; Protopic; FK506; Tacrolimus anhydrous; Advagraf; Modigraf; Protopy; Fk-506; LCP-Tacro; Anhydrous Tacrolimus; tacrolimus (fk506); FK 506; FR-900506; 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN; UNII-Y5L2157C4J; FR900506; Astagraf XL; (-)-FK 506; Tsukubaenolide; Prograf (TN); CHEMBL269732; CHEBI:61049; Y5L2157C4J; K506; NCGC00163470-03; Prograft; Avagraf; Envarsus; Graceptor; Envarsus XR; (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)tetrone; Tacrolimus (INN); Tacrolimus [USAN]; Tacrolimus, anhydrous; MFCD11045918; Tacrolimus (anhydrous); SR-05000001879; Tacrolimus [USAN:INN]; Hecoria; Talymus; |
| 分子式 | C44H69NO12 · H2O |
| 分子量 | 822.03 |
| InChI | InChI=1S/C44H69NO12.H2O/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 ;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1 |
| InChI Key | NWJQLQGQZSIBAF-MLAUYUEBSA-N |
| Canonical SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC.O |