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131944-48-4

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131944-48-4 Structure

131944-48-4 Structure
IdentificationBack Directory
[Name]

(E/Z)-FK-506 26,28-Allylic Ester RearrangeMent IMpurity
[CAS]

131944-48-4
[Synonyms]

Tacrolimus Impurity 2
Tacrolimus Impurity 21
Tacrolimus Rearrangement Lactone
Tacrolimus Impurity 13 （Positional Isomer ）
(E/Z)-FK-506 26,28-Allylic Ester RearrangeMent IMpurity
[3R-[3R*(1R*,3R*,4R*),4E,6S*,7S*,10R*,11E,14S*,16S*,17R*,18S*,20R*,21R*,28aS*]]-
[3R-[3R*(1R*,3R*,4R*),4E,6S*,7S*,10R*,11E,14S*,16S*,17R*,18S*,20R*,21R*,28aS*]]-7,8,10,13,14,15,16,17,18,19,20,21,26,27,28,28a-Hexadecahydro-7,21-dihydroxy-3-(4-hydroxy-3-methoxycyclohexyl)-16,18-dimethoxy-4,6,12,14,20-pentamethyl-10-(2-propenyl)-7,21-epo
17,21-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclopentacosine-1,9,22,23(6H,25H)-tetrone, 7,8,10,13,14,15,16,17,18,19,20,21,26,27,28,28a-hexadecahydro-7,21-dihydroxy-3-(4-hydroxy-3-methoxycyclohexyl)-16,18-dimethoxy-4,6,12,14,20-pentamethyl-10-(2-propenyl)-, [3R-[3R*(1R*,3R*,4R*),4E,6S*,7S*,10R*,11E,14S*,1...
[Molecular Formula]

C44H69NO12
[MDL Number]

MFCD28988714
[MOL File]

131944-48-4.mol
[Molecular Weight]

804.02
Chemical PropertiesBack Directory
[Melting point ]

115-120°C
[Boiling point ]

879.7±75.0 °C(Predicted)
[density ]

1.19±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[pka]

9.98±0.70(Predicted)
Hazard InformationBack Directory
[Chemical Properties]

White to Pale Yellow Solid
[Uses]

FK-506 (F370000) impurity. A new macrolite of thermal rearrangement of the immunosuppressant FK-506.
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