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Tacrolimus
- FK 506- Optical Purity: Optically pure
- Soluble in DMSO
- MF: C44H69NO12
- MW: 804.02
Description
More Information
| Parent CAS No. | 104987-11-3 |
|---|---|
| Chemical Name | (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 |
| SMILES | [C@@H]1(OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@@]2(O)[C@H](C)C[C@H](OC)[C@]([H])(O2)[C@@H](OC)C[C@@H](C)CC(C)=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)/C(=C/[C@H]1C[C@@H](OC)[C@H](O)CC1)/C |t:35,&1:0,4,14,16,19,22,25,29,35,42,44,48,50,53,r| |
| MFCD | N.A. |
| InChi | InChI=1S/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 |
| CID | 445643 |
| Short Description | Calcineurin inhibitor |
References
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