Molecular structure from independently sourced SMILES

Fingolimod 2D structure

Role
Drug
Mechanism class
MS · S1P
InChIKey
KKGQTZUTZRNORY-UHFFFAOYSA-N
Structure checked
2026-10-08
Molecular formula
C19H33NO2
Structure source
PubChem
PubChem CID
107970
InChI Key
KKGQTZUTZRNORY-UHFFFAOYSA-N
FDA / EMA
FDA/EMA

SMILES

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

Tags

MSS1P1

External IDs · BioMoa

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

Editorial responsibility and corrections

Operated and edited by the independent StructureMoa project. Explanations use AI assistance; structural identity and similarity are checked against source records and calculation tests. Molecular data and clinical or regulatory evidence have separate review scopes.

Source structures
PubChem · CID / SMILES / InChIKey
Calculations and automated checks
RDKit · Morgan / SMARTS
Disclosed specialist review
No separate external specialist review is disclosed. Passing automated tests is not specialist review of clinical claims.

For a correction, include the page URL, molecule name or CID, the field in question and a supporting source. Corrections are checked against sources, and the affected editorial update date is changed when a correction is published. [email protected]