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Tacrolimus

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Tacrolimus / CAS : 104987-11-3

Appearance White or grayish white crystalline powder UN 2811
HS 29419090 DG Class 6.1
Synonyms Fujimycin; Prograf; Protopic; Fk506; Tacrolimus Anhydrous; Advagraf; Modigraf; Protopy; Anhydrous Tacrolimus; 8-Deethyl-8-[But-3-Enyl]-Ascomycin; Unii-Y5L2157C4J; (-)-Fk 506; Tsukubaenolide; Prograf (Tn); Prograft; Avagraf; Envarsus; Graceptor; Envarsus Xr; (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26As)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26A-Hexadecahydro-5,19-Dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-Hydroxy-3-Methoxycyclohexyl]-1-Methylethenyl]-14,16-Dimethoxy-4,10,12,18-Tetramethyl-8-(2-Propen-1-Yl)-15,19-Epoxy-3H-Pyrido[2,1-C][1,4]Oxaazacyclotricosine-1,7,20,21(4H,23H)Tetrone
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Properties

Summary

Formula
C44H69NO12
Molecular Mass
804.01800
Exact Mass
803.48200
PSA
178.36000
Logp
4.57690
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
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

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Melting Point
113-115 °C
Density
1.19 g/cm3
Boiling Point
871.7 ºC
Flash Point
481 ºC
Appearance
White or grayish white crystalline powder
Acidity and Basicity
neutral

Export information

HS Code
29419090
Export Rebate
13%
UN No.
2811
DG-Class
6.1
Risk Code
R25-36/37/38-36-20/21/22-11
Safety Label
T,Xi,Xn,F

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