Molecular Structure of Asenapine (CAS NO.65576-45-6):

Systematic Name: (3alphaS,12betaS)-5-Chloro-2-methyl-2,3,3alpha,12beta-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole
Molecular Formula: C₁₇H₁₆ClNO
Molecular Weight: 285.77 
EINECS: 265-829-4
Index of Refraction: 1.609
Molar Refractivity: 80.45 cm³
Molar Volume: 232 cm³
Surface Tension: 43.1 dyne/cm
Density: 1.231 g/cm³
Flash Point: 170.2 °C
Enthalpy of Vaporization: 60.33 kJ/mol
Boiling Point: 357.9 °C at 760 mmHg
Vapour Pressure: 2.65E-05 mmHg at 25 °C
Canonical SMILES: CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
Isomeric SMILES: CN1C[C@H]2[C@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
InChI: InChI=1S/C17H16ClNO/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/t14-,15-/m1/s1
InChIKey: VSWBSWWIRNCQIJ-HUUCEWRRSA-N
Product Categories: Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals

  Asenapine (CAS NO.65576-45-6) has been approved by the FDA for the acute treatment of adults with schizophrenia and acute treatment of manic or mixed episodes associated with bipolar I disorder with or without psychotic features in adults.

  Asenapine (CAS NO.65576-45-6), its Synonyms are 1H-Dibenz(2,3:6,7)oxepino(4,5-c)pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bR)-rel- ; 1H-Dibenz(2,3:6,7)oxepino(4,5-c)pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, trans- ; trans-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole .