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
Synonyms | Fingolimod metabolite M1; Fingolimod octanoic acid |
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Property
Molecular Formula: | C19H31NO4 |
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Molecular Weight | 337.46 |
Solubility | Soluble in DMSO |
Purity | 98.0% |
Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
Computed Descriptor
IUPAC Name | 8-(4-(3-Amino-4-hydroxy-3-(hydroxymethyl)butyl)phenyl)octanoic acid |
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InChI | 1S/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) |
InChIKey | JVTFHBJPCUOROC-UHFFFAOYSA-N |
SMILES | NC(CO)(CO)CCc1ccc(CCCCCCCC(=O)O)cc1 |