Fingolimod

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Systematic / IUPAC Name: 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol

ID: Reference4413

Other Names: Fingolimodum;
FTY720 ;
Gilenya;
2-(4-Octylphenethyl)-2-aminopropane-1,3-diol;
2-Amino-2-(4-octylphenethyl)propane-1,3-diol ; more

Formula: C19H33NO2

Class: Therapeutics/Prescription Drugs

Spectral Data

Fingolimod mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 749
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/4/2016 8:47:48 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
InChI Key KKGQTZUTZRNORY-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
CAS
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Other Names Fingolimodum;
FTY720 ;
Gilenya;
2-(4-Octylphenethyl)-2-aminopropane-1,3-diol;
2-Amino-2-(4-octylphenethyl)propane-1,3-diol;
2-Amino-2-(4-octylphenyl)ethylpropane-1,3-diol;
2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol

In Other Databases

KEGG D10001
ChEBI CHEBI:63115
DrugBank DB08868
ChemSpider 97087
PubChem 107970
ChEMBL CHEMBL314854
Wikipedia Fingolimod