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Asenapine (Standard)

CAT: 0804-HY-10121R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10121R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Asenapine (Standard) is the analytical standard of Asenapine. This product is intended for research and analytical applications. Asenapine (Org 5222), an atypical antipsychotic, is an antagonist of serotonin receptors (pKi: 8.4-10.5), adrenoceptors (pKi: 8.9-9.5), dopamine receptors (pKi: 8.9-9.4) and histamine receptors (pKi: 8.2-9.0) . Asenapine can be used in the research of schizophrenia and bipolar disorder[1][2].
CAS Number
65576-45-6
Product Name Alternative
Org 5222 (Standard)
UNSPSC
12352005
Target
5-HT Receptor; Adrenergic Receptor; Dopamine Receptor; Histamine Receptor; Reference Standards
Type
Reference Standards
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling; Others
Field of Research
Neurological Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/asenapine-standard.html
Smiles
ClC1=CC=C2OC3=CC=CC=C3[C@@](C4)([H])[C@](CN4C)([H])C2=C1
Molecular Formula
C17H16ClNO
Molecular Weight
285.77
References & Citations
[1]M Shahid, et al. Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23 (1) :65-73.|[2]Olivia Frånberg, et al. Asenapine, a novel psychopharmacologic agent: preclinical evidence for clinical effects in schizophrenia. Psychopharmacology (Berl) . 2008 Feb;196 (3) :417-29.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Asenapine

(S,S)-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 S configuration. It is a conjugate base of a (S,S)-asenapine(1+). It is an enantiomer of a (R,R)-asenapine.

CAS Number65576-45-6
PubChem CID163091
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
Molecular FormulaC17H16ClNO
Molecular Weight285.8
XLogP3.8
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity363
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
Chemical Structure
2D Structure
2D structure of Asenapine
CAS: 65576-45-6
CID: 163091
Formula: C17H16ClNO
MW: 285.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.8
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass285.0920418
Monoisotopic Mass285.0920418
Topological Polar Surface Area12.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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