loading...| Preferred Name |
fingolimod hydrochloride |
|
| Synonyms |
2-Amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochloride 2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol hydrochloride Fingolimod HCl FTY-720 FTY720 Gilenya 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol hydrochloride |
|
| Definitions |
The hydrochloride salt of 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol (fingolimod). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63112 |
|
| alternative term |
2-Amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochloride 2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol hydrochloride Fingolimod HCl FTY-720 FTY720 Gilenya 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol hydrochloride |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_35705 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:21394595 KEGG:D04187 Reaxys:7837310 PMID:21652609 PMID:21280229 PMID:21838759 CAS:162359-56-0 PMID:21845450 PMID:21045201 PMID:21045200 PMID:21130737 PMID:21628899 PMID:21906625 PMID:21456524 PMID:21514226 PMID:21955849 PMID:21459808 PMID:21719706 |
|
| definition |
The hydrochloride salt of 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol (fingolimod). |
|
| formula |
C19H34ClNO2 |
|
| has part | ||
| has_exact_synonym |
2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol hydrochloride |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
2-Amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochloride 2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol hydrochloride Fingolimod HCl FTY-720 FTY720 Gilenya |
|
| id |
CHEBI:63112 |
|
| in_subset | ||
| inchi |
InChI=1S/C19H33NO2.ClH/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;1H |
|
| inchikey |
SWZTYAVBMYWFGS-UHFFFAOYSA-N |
|
| label |
fingolimod hydrochloride |
|
| mass |
343.93200 |
|
| monoisotopicmass |
343.22781 |
|
| notation |
CHEBI:63112 |
|
| overlaps | ||
| prefLabel |
fingolimod hydrochloride |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35705 |
|
| smiles |
Cl.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 |
|
| subClassOf |