| CAS Number | 1412458-61-7 |
| Catalog Number | AG009C92 |
| Chemical Name | Asenapine (hydrochloride) |
| IUPAC Name | (2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene;hydrochloride |
| InChI | InChI=1S/C17H16ClNO.ClH/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;/h2-8,14-15H,9-10H2,1H3;1H/t14-,15-;/m1./s1 |
| InChI Key | FNJQDKSEIVVULU-CTHHTMFSSA-N |
| MDL Number | MFCD25562948 |
| Molecular Formula | C17H17Cl2NO |
| Molecular Weight | 322.2290 |
| SMILES | CN1C[C@]2([C@@](C=3C(OC=4C2=CC(Cl)=CC4)=CC=CC3)(C1)[H])[H].Cl |
| Synonyms | Asenapine (hydrochloride),
Asenapine hydrochloride,
1412458-61-7,
DTXSID10678678,
FNJQDKSEIVVULU-CTHHTMFSSA-N,
CS-1053,
HY-16567,
A3192,
W-6082,
(3aS,12bS)-5-Chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole--hydrogen chloride (1/1),
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.229g/mol |
| Monoisotopic Mass | 321.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number