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Mono-O-acetyl Fingolimod TFA, TRC

Product Code. 30479100
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100 mg
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100mg
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Product Code. 30479100 Supplier Toronto Research Chemicals Supplier No. TRCM524630100MG

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Specifications

Chemical Name or Material Mono-O-acetyl Fingolimod TFA
CAS 2469039-45-8
Molecular Formula C21H35NO3 . C2HF3O2
Quantity 100 mg
Synonym 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol 1-Acetate TFA
InChI Formula InChI=1S/C21H35NO3.C2HF3O2/c1-3-4-5-6-7-8-9-19-10-12-20(13-11-19)14-15-21(22,16-23)17-25-18(2)24;3-2(4,5)1(6)7/h10-13,23H,3-9,14-17,22H2,1-2H3;(H,6,7)
SMILES NC(COC(C)=O)(CO)CCC1=CC=C(CCCCCCCC)C=C1.OC(C(F)(F)F)=O
IUPAC Name 2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl acetate 2,2,2-trifluoroacetate
Molecular Weight (g/mol) 463.53
Formula Weight 463.25
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