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Fingolimod Impurity 5


ISO 17034:

Chemical Name : Fingolimod Impurity 5
Catalog Number : CS-P-07988
CAS Number : 268557-49-9
Status :
Category : Fingolimod Impurities
Therapeutic : Immunosuppressants
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Canonical SMILES : CCCCCCCCC1=CC=C(C=C1)C(=O)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C
Isomeric SMILES : CCCCCCCCC1=CC=C(C=C1)C(=O)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C
InChI : InChI=1S/C25H37NO6/c1-5-8-9-10-11-12-13-20-14-16-21(17-15-20)22(28)18-25(26-19(4)27,23(29)31-6-2)24(30)32-7-3/h14-17H,5-13,18H2,1-4H3,(H,26,27)
InchIKey : FXWGCWKFKYSSLD-UHFFFAOYSA-N
IUPAC Name : diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxoethyl]propanedioate
Exact Mass : 447.26208790
Hazard Class : Skin Irrit. 2 (100%)
EC Number : 813-247-1