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Asenapine hydrochloride

CAT: 0013-GTR19201432Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201432Size:1 mg
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Description
Asenapine hydrochloride is a multi-receptor antagonist targeting serotonin, adrenergic, dopamine, and histamine receptors. It is used in research to investigate antipsychotic mechanisms, with applications in preclinical in vitro binding assays and in vivo models for schizophrenia and bipolar disorder.
CAS Number
1261398-77-9
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.[H][C@]12CN (C) C[C@]1 ([H]) c1cc (Cl) ccc1Oc1ccccc21
Molecular Formula
C17H17Cl2NO
Molecular Weight
322.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Asenapine hydrochloride
CAS Number1261398-77-9
PubChem CID49849508
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;hydrochloride
Molecular FormulaC17H17Cl2NO
Molecular Weight322.2
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity363
SMILES
CN1C[C@H]2[C@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.Cl
InChI
InChI=1S/C17H16ClNO.ClH/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;1H/t14-,15-;/m1./s1
InChIKey
FNJQDKSEIVVULU-CTHHTMFSSA-N
Chemical Structure
2D Structure
2D structure of Asenapine hydrochloride
CAS: 1261398-77-9
CID: 49849508
Formula: C17H17Cl2NO
MW: 322.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass321.0687196
Monoisotopic Mass321.0687196
Topological Polar Surface Area12.5 Ų
Heavy Atom Count21
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 Count2
Compound Is CanonicalizedYes

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