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Tacrolimus Monohydrate

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Tacrolimus Monohydrate / CAS : 109581-93-3

Appearance White to Almost white powder UN 2811
HS 29420000 DG Class 6.1
Synonyms Tacrolimus; Tacrolimus Hydrate; Prograf; Protopic; Tsukubaenolide Hydrate
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Properties

Summary

Formula
C44H71NO13
Molecular Mass
822.03300
Exact Mass
821.49300
PSA
187.59000
Logp
4.51260
IUPAC
(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
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

Attribute classification

Matter Classification
organic
Category
Auxiliary > Other Auxiliary Agent
API & Intermediate > Inhibitors

Chemical and Physical Properties

Melting Point
127-129°
Boiling Point
871.7ºC at 760 mmHg
Flash Point
481ºC
Appearance
White to Almost white powder

Export information

HS Code
29420000
Export Rebate
13%
UN No.
2811
DG-Class
6.1
Risk Code
R25
Safety Label
T

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