Fingolimod octanoic acid - CAS 207113-62-0

Fingolimod octanoic acid is used to treat multiple sclerosis and has antineoplastic activity.

Catalog Number: I027481

CAS Number: 207113-62-0

Molecular Formula: C19H31NO4

Molecular Weight:337.46

Purity: 98.0%

Appearance:Solid powder

* For research use only. Not for human or veterinary use.

Synonym

SynonymsFingolimod metabolite M1; Fingolimod octanoic acid

Property

Molecular Formula: C19H31NO4
Molecular Weight337.46
SolubilitySoluble in DMSO
Purity98.0%
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Computed Descriptor

IUPAC Name8-(4-(3-Amino-4-hydroxy-3-(hydroxymethyl)butyl)phenyl)octanoic acid
InChI1S/C19H31NO4/c20-19(14-21,15-22)13-12-17-10-8-16(9-11-17)6-4-2-1-3-5-7-18(23)24/h8-11,21-22H,1-7,12-15,20H2,(H,23,24)
InChIKeyJVTFHBJPCUOROC-UHFFFAOYSA-N
SMILESNC(CO)(CO)CCc1ccc(CCCCCCCC(=O)O)cc1