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Chemical structure of Asenapine maleate

GC63819

Asenapine maleate

Also known as (Z)-but-2-enedioic acid;(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

Asenapine maleate is a 5-HT (1A, 1B, 2A, 2B, 2C, 5A, 6, 7) and D2 antagonist with Ki values of 0·03-4·0 nM, 1·3nM, respectively, and an antipsychotic

ChemicalCAS85650-56-2MW401.84FormulaC21H20ClNO5
CAS number
85650-56-2
Molecular weight
401.84
Formula
C21H20ClNO5
Solubility
DMSO ： 25 mg/mL (62·21 mM; Need ultrasonic)|Water ： 6·25 mg/mL (15·55 mM; Need ultrasonic and warming)
InChIKey
GMDCDXMAFMEDAG-CHHFXETESA-N
Catalogue number
GC63819
Brand
GLPBIO
Computed properties PubChem CID 6917875 · TPSA 87.1 Ų · H-bond donors 2 · H-bond acceptors 6
TPSA
87.1 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
28

SMILES CN1C[C@H]2[C@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O

Computed descriptors from PubChem (CID 6917875), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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