| CAS Number | 1176316-99-6 |
| Catalog Number | AG008TDC(AGN-PC-0WNMRG) |
| Chemical Name | Agomelatine (hydrochloride) |
| IUPAC Name | N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride |
| InChI | InChI=1S/C15H17NO2.ClH/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13;/h3-7,10H,8-9H2,1-2H3,(H,16,17);1H |
| InChI Key | ZJVMEXOLMFNQPX-UHFFFAOYSA-N |
| MDL Number | MFCD28168055 |
| Molecular Formula | C15H18ClNO2 |
| Molecular Weight | 279.7619 |
| SMILES | Cl.COC1=CC=C2C=CC=C(C2=C1)CCNC(C)=O |
| Synonyms | Agomelatine hydrochloride,
Agomelatine (hydrochloride),
1176316-99-6,
SCHEMBL1289524,
HY-17038A,
AKOS030526287,
CS-1779,
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;hydrochloride,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.764g/mol |
| Monoisotopic Mass | 279.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number