CAS 109581-93-3 appears in our catalog under these names: Tacrolimus Monohydrate, Tacrolimus Hydrate, >95% (HPLC), Tacrolimus monohydrate, FK-506 monohydrate, 98.00%, Tacrolimus monohydrate - Bio-X â„¢. Offered by: Chemat Brand, TRC, GLPBio, Chemat, Biosynth. Available pack sizes: on request, 100mg, 10mg, 50mg, 1g, 200mg, 500mg, 1mg.
Tacrolimus hydrate is a hydrate that is the monohydrate form of tacrolimus. It has a role as an immunosuppressive agent. It contains a tacrolimus (anhydrous).
Source: ChEBI
| Molecular formula | C44H71NO13 |
|---|---|
| Molecular weight | 822.0 g/mol |
| 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 |
| InChIKey | NWJQLQGQZSIBAF-MLAUYUEBSA-N |
| 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 |
Computed by PubChem (NCBI)