Basic Information |
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Product Name: | TACROLIMUS MONOHYDRATE |
CAS: | 109581-93-3 |
English Synonyms: | TACROLIMUS HYDRATE ; FK 506 MONOHYDRATE ; TACROLIMUS MONOHYDRATE ; FK506 ; TSUKUBAENOLIDE HYDRATE |
MDL Number.: | MFCD11045918 |
H bond acceptor: | 13 |
H bond donor: | 3 |
Smile: | 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 |
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 |
InChiKey: | InChIKey=NWJQLQGQZSIBAF-MLAUYUEBSA-N |
Property |
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Safety information |
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Symbol: | GHS06 |
Signal word: | Danger |
Hazard statements: | H301 |
Precautionary statements: | P301 + P310 |
hazard symbol: | T |
Risk Code: | R:25 |
Safe Code: | S:45 |
WGK Germany: | 3 |
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