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249289-10-9

249289-10-9 Structure

249289-10-9 Structure
IdentificationBack Directory
[Name]

N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide
[CAS]

249289-10-9
[Synonyms]

FTY720C2
FTY720-C2
FTY720 C2
FTY 720 C 2
FTY-720-C-2
Fingolimod Impurity 26
Fingolimod EP Impurity I
Fingolimod Hydrochloride EP impurity I
N-(1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propy
Fingolimod Impurity 26 (Fingolimod EP Impurity I)
N-(1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl)acetamide
Acetamide, N-[1,1-bis(hydroxymethyl)-3-(4-octylphenyl)propyl]-
N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)a...
N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide
Fingo A-2 N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide
[Molecular Formula]

C21H35NO3
[MDL Number]

MFCD21606969
[MOL File]

249289-10-9.mol
[Molecular Weight]

349.51
Chemical PropertiesBack Directory
[Melting point ]

83-87°C
[Boiling point ]

567.9±50.0 °C(Predicted)
[density ]

1.035
[storage temp. ]

2-8°C
[solubility ]

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

Solid
[pka]

14.20±0.10(Predicted)
[color ]

White
[InChI]

InChI=1S/C21H35NO3/c1-3-4-5-6-7-8-9-19-10-12-20(13-11-19)14-15-21(16-23,17-24)22-18(2)25/h10-13,23-24H,3-9,14-17H2,1-2H3,(H,22,25)
[InChIKey]

XDKYDMHKJNIXAT-UHFFFAOYSA-N
[SMILES]

C(NC(CO)(CO)CCC1=CC=C(CCCCCCCC)C=C1)(=O)C
Safety DataBack Directory
[Symbol(GHS) ]


GHS08,GHS07
[Signal word ]

Warning
[Hazard statements ]

H361-H302
[Precautionary statements ]

P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

An intermediate in the preparation of FTY720-d4 (F805002), a labelled derivative of ISP-1 (myriocin), a fungal metabolite of the Chinese herb Iscaria sinclarii as well as a structural analogue of Sphi ngosine.
[Uses]

N-(1-Hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide is the starting material for the preparation of FTY 720-phosphate enantiomers immunosuppressants. Unlabelled version of N-(1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl)acetamide-d4 (B445610).
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