| CAS Number | 1002100-44-8 |
| Catalog Number | AG008SS7 |
| Chemical Name | Oleoyl Serotonin |
| IUPAC Name | (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadec-9-enamide |
| InChI | InChI=1S/C28H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h9-10,18-19,22-23,30-31H,2-8,11-17,20-21H2,1H3,(H,29,32)/b10-9- |
| InChI Key | LCQKHZYXPCLVBI-KTKRTIGZSA-N |
| MDL Number | MFCD18428060 |
| Molecular Formula | C28H44N2O2 |
| Molecular Weight | 440.6612 |
| SMILES | O=C(NCCC1=CNC2=CC=C(O)C=C12)CCCCCCC/C=CCCCCCCCC |
| Synonyms | Oleoyl Serotonin,
1002100-44-8,
(9Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadec-9-enamide,
N-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)-9Z-octadecenamide,
N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]-9Z-octadecenamide,
Oleoylserotonin,
N-oleoylserotonin,
N-(9Z-octadecenoyl)-serotonin,
CHEMBL238324,
BDBM22992,
CHEBI:134064,
LCQKHZYXPCLVBI-KTKRTIGZSA-N,
N-arachidonoylserotonin analogue, 1e,
1871AH,
ZINC14979695,
(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadec-9-enamide,
(Z)-N-[2-(5-Hydroxy-1H-indole-3-yl)ethyl]-9-octadeceneamide,
C28H44N2O2,
N-[2-(5-HYDROXY-1H-INDOL-3-YL)ETHYL]OCTADEC-9-ENAMIDE,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 440.34g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.672g/mol |
| Monoisotopic Mass | 440.34g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number