65576-39-8
Product Name:
(3aS,12bS)-2-Methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole
Formula:
C17H17NO
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White to off-white powder |
|---|---|
| Other Experimental Properties | Crystals, mp 141-145 °C; uv max (ethanol): 270 nm (e 1900). Solubility at 21 °C (g/L): water 3, ethanol 30, methanol 250, acetone 125, ethyl acetate 10, dichloromethane 250, hexane <1. pH at 20 °C (0.1% solution in water): 4.56. pH at 23 °C (saturated solution 5.8 g/L): 4.43. pKa1 <3; pKa2 = 7.52, pKa3 = 8.51 /Asenapine maleate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 285.8 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 285.0920418 g/mol |
| Monoisotopic Mass | 285.0920418 g/mol |
| Topological Polar Surface Area | 12.5 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 363 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(R,R)-asenapine is a 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole in which both of the stereocentres have R configuration. It is a conjugate base of a (R,R)-asenapine(1+). It is an enantiomer of a (S,S)-asenapine.