TACROLIMUS MONOHYDRATE

CAS No.
109581-93-3
CCD No.
CCD01001455
Formula
C44 H69 N O12 . H2 O
MolWeight
822.039

Basic Information

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

Safety information

Symbol: GHS06 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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