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Details

Stereochemistry ACHIRAL
Molecular Formula C19H33NO2
Molecular Weight 307.4708
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FINGOLIMOD

SMILES

CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1

InChI

InChIKey=KKGQTZUTZRNORY-UHFFFAOYSA-N
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

HIDE SMILES / InChI
Molecular Formula C19H33NO2
Molecular Weight 307.4708
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:29:18 UTC 2023
Edited
by admin
on Fri Dec 15 15:29:18 UTC 2023
Record UNII
3QN8BYN5QF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FINGOLIMOD
DASH   INN   MART.   MI   ORANGE BOOK   VANDF   WHO-DD  
INN  
Official Name English
FTY-720
Code English
FTY720
Code English
FINGOLIMOD [MART.]
Common Name English
FINGOLIMOD [MI]
Common Name English
2-AMINO-2-(2-(4-OCTYLPHENYL)ETHYL)PROPANE-1,3-DIOL
Systematic Name English
fingolimod [INN]
Common Name English
Fingolimod [WHO-DD]
Common Name English
FINGOLIMOD [ORANGE BOOK]
Common Name English
1,3-PROPANEDIOL, 2-AMINO-2-(2-(4-OCTYLPHENYL)ETHYL)-
Systematic Name English
FINGOLIMOD [VANDF]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 305910
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
EU-Orphan Drug EU/3/09/718
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
LIVERTOX NBK548384
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
WHO-VATC QL04AA27
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
NDF-RT N0000181816
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
NCI_THESAURUS C308
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
WHO-ATC L04AA27
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
Code System Code Type Description
WIKIPEDIA
FINGOLIMOD
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
NCI_THESAURUS
C74202
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
INN
8341
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
EVMPD
SUB31908
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
RXCUI
1012892
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY RxNorm
DAILYMED
3QN8BYN5QF
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
ChEMBL
CHEMBL314854
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
IUPHAR
2407
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
LACTMED
Fingolimod
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
DRUG BANK
DB08868
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
SMS_ID
100000124172
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
MESH
C098720
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
DRUG CENTRAL
4167
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
NDF-RT
N0000181815
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY Sphingosine 1-Phosphate Receptor Modulators [MoA]
CHEBI
63115
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
PUBCHEM
107970
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
CAS
162359-55-9
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID40167363
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
MERCK INDEX
m5384
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY Merck Index
FDA UNII
3QN8BYN5QF
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
CHEBI
63112
Created by admin on Fri Dec 15 15:29:18 UTC 2023 , Edited by admin on Fri Dec 15 15:29:18 UTC 2023
PRIMARY
Related Record Type Details
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of FINGOLIMOD LAURYL SULFATE
SALT/SOLVATE -> PARENT
Structure of FINGOLIMOD HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Structure of FINGOLIMOD
EXCRETED UNCHANGED
After an oral administration, about 81% of the dose is slowly excreted in the urine as inactive metabolites. Fingolimod and fingolimod-P are not excreted intact in urine but are the major components in the feces with amounts representing less than 2.5% of the dose each.
FECAL
CYTOCHROME P450 4F2
METABOLIC ENZYME -> SUBSTRATE
MAJOR
Related Record Type Details
Structure of DES(4-OCTYL) FINGOLIMOD-4-ACETIC ACID
METABOLITE -> PARENT
Structure of FINGOLIMOD PALMITAMIDE
METABOLITE -> PARENT
Structure of FINGOLIMOD OCTANOIC ACID
METABOLITE -> PARENT
Structure of FINGOLIMOD HEXANOIC ACID
METABOLITE -> PARENT
Structure of FINGOLIMOD PHOSPHATE ESTER, (S)-
METABOLITE ACTIVE -> PRODRUG
Structure of FINGOLIMOD STEARAMIDE
METABOLITE -> PARENT
Structure of 4-(3-AMINO-4-HYDROXY-3-(HYDROXYMETHYL)BUTYL)BENZENEBUTANOIC ACID
METABOLITE -> PARENT
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
Tmax PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
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