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Tacrolimus Monohydrate - ≥80.0%(HPLC), high purity , CAS No.109581-93-3
Basic Description
Synonyms | TACROLIMUS MONOHYDRATE|Tacrolimus hydrate|109581-93-3|Prograf|Protopic|Tsukubaenolide hydrate|FK-506 monohydrate|LCP-Tacro|Tacrolimus (monohydrate)|WM0HAQ4WNM|FK 506|Tacrolimus [USAN]|FR900506|FR 900506|UNII-WM0HAQ4WNM|Prograf (TN)|(1R,9S,12S,13R,14S,17R, |
Specifications & Purity | ≥80.0%(HPLC) |
Storage Temp | Protected from light,Store at -20°C,Argon charged |
Shipped In | Dry ice |
Product Description | Application FK-506 monohydrate has been used: as an immunosuppressive agent in coculture medium to study the effect of immunologic reaction as a calcineurin inhibitor, in anhydrous Me2SO solution to treat retinal pigment epithelial cells to measure possible cytotoxicity |
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Names and Identifiers
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 |
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 | CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC.O |
Isomeric 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 |
WGK Germany | 3 |
RTECS | KD4201200 |
PubChem CID | 5282315 |
Molecular Weight | 822.03 |
Reaxy-Rn | 6265275 |
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Chemical and Physical Properties
Solubility | Soluble in 20 mg/mL of DMSO |
Sensitivity | light & heat sensitive |
Melt Point(°C) | 127 °C |
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Safety and Hazards(GHS)
Pictogram(s) | GHS06 |
Signal | Danger |
Hazard Statements | H301:Toxic if swallowed |
Precautionary Statements | P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P316:IF SWALLOWED: Get emergency medical help immediately. |
WGK Germany | 3 |
RTECS | KD4201200 |
Reaxy-Rn | 6265275 |
Merck Index | 9025 |
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