Tricetyl fingolimod

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For Research Use Only.

Category

Impurities

Cat.No.

NP3661

CAS

162358-09-0

Product Name

Tricetyl fingolimod

Structure

Product Details

Synonyms

2-Acetoxymethyl-2-acetylamino-4-(4-octylphenyl)acetic Acid Butyl Ester; N-[1,1-Bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]acetamide; 2-acetamido-2-(4-octylphenethyl)propane-1,3-diyl diacetate

IUPAC Name

[2-acetamido-2-(acetyloxymethyl)-4-(4-octylphenyl)butyl] acetate

Molecular Weight

Molecular Formula

C25H39NO5

Canonical SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(COC(=O)C)(COC(=O)C)NC(=O)C

InChI

InChI=1S/C25H39NO5/c1-5-6-7-8-9-10-11-23-12-14-24(15-13-23)16-17-25(26-20(2)27,18-30-21(3)28)19-31-22(4)29/h12-15H,5-11,16-19H2,1-4H3,(H,26,27)

InChIKey

GNDIBYIKXCMJGO-UHFFFAOYSA-N

Boiling Point

582.22ºC at 760 mmHg

Purity

95%

Density

1.043g/cm3

Appearance

Off-White Solid

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