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104987-16-8

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104987-16-8 Structure

104987-16-8 Structure
IdentificationBack Directory
[Name]

Δ23-FK-506
[CAS]

104987-16-8
[Synonyms]

Δ23-FK-506
Δ23-FK-506
delta23-FK 506
TacroliMus Diene
23,24-Anhydro tacrolimus
Tacrolimus EP Impurity I
Tacrolimus Diene Impurity
Tacrolimus Diene Impurity (USP)
Tacrolimus 5,6-Anhydro Impurity
Tacrolimus EP Impurity I (Tacrolimus Diene)
Tacrolimus Impurity 4（Tacrolimus EP Impurity I ）（Tacrolimus Diene）
(3S,4R,8R,12S,14S,15R,16S,18R,19R,26aS)-8,11,12,13,14,15,16,17,18,19,24,25,26,26a-tetradecahydro-19-hydroxy-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(5E,9E)-
15,19-Epoxy(5E,9E)-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8,11,12,13,14,15,16,17,18,19,24,25,26,26a-tetradecahydro-19-hydroxy-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)-, (3S,4R,8R,12S,1...
(3S,4R,8R,12S,14S,15R,16S,18R,19R,26aS)-8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Tetradecahydro-19-hydroxy-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(5E,9E)-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone
[Molecular Formula]

C44H67NO11
[MDL Number]

MFCD28358828
[MOL File]

104987-16-8.mol
[Molecular Weight]

786.02
Chemical PropertiesBack Directory
[Boiling point ]

858.2±75.0 °C(Predicted)
[density ]

1.17±0.1 g/cm3(Predicted)
[storage temp. ]

-10 to -25°C
[solubility ]

Benzene (Slightly), Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.97±0.70(Predicted)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[Major Application]

pharmaceutical
[InChIKey]

PLHJNIVKYISEQW-KMTRVLEYNA-N
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H331-H311-H301
[Precautionary statements ]

P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Repr. 2
STOT RE 2
Hazard InformationBack Directory
[Uses]

Δ23-FK 506 is an impurity of FK-506 (Tacrolimus) (F370000), an immunosuppressant macrolactam.
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