CHEMICAL AND PHYSICAL PROPERTIES
Color/Form | White to off-white powder |
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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 |
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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.