|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
22
Total Number of Articles : 17
|
| PubChem |
107970
|
| Molecular Formula |
C19H33NO2 |
| SMILES |
CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N |
| 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 |
| synonyms |
- Fingolimod
- 162359-55-9
- 2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
- 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-
- fingolimodum
- UNII-3QN8BYN5QF
- 3QN8BYN5QF
- CHEBI:63115
- 1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-
- 2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol
- DTXSID40167363
- FINGOLIMOD (MART.)
- FINGOLIMOD [MART.]
- DTXCID0089854
- L04AA27
- 2-Amino-2-(4-octylphenethyl)propane-1,3-diol
- Fingolimod [INN]
- 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol
- Fty-720
- 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propandiol
- Gilenya (TN)
- CHEMBL314854
- Fingolimod (INN)
- 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol
- C19H33NO2
- 2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propandiol; 2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol; Fingolimod; 1,3-Propanediol, 2-amino-2-[2-(4-octylphenyl)ethyl]-
- Fingolimod (Standard)
- FINGOLIMOD [MI]
- FINGOLIMOD [VANDF]
- SCHEMBL7445
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| Properties |
| Property |
Value |
| MW |
307.5 g/mol |
| HBD |
3 |
| HBA |
3 |
| Rotatable Bond Count |
12 |
| Exact Mass |
307.251129295 g/mol |
| Monoisotopic Mass |
307.251129295 g/mol |
| Heavy Atom Count |
22 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
258 |
| xlogp |
4.2 |
| Topological Polar Surface Area |
66.5 |
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