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Pimethixene

CAT: 0931-T12489-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T12489-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
314-03-4
Target
Histamine Receptor, 5-HT Receptor, AChR, Dopamine Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Immunology/Inflammation
Purity
0.991
Bioactivity
Pimethixene (Calmixen) is a highly potent 5-HT1A, 5-HT2A, 5-HT2B, 5-HT2C, histamine H1, dopamine D2 and D4.4 as well as muscarinic M1 and M2 receptors antagonist (pKis of 7.63, 10.22, 10.44, 8.42, 10.14, 8.19, 7.54, 8.61 and 9.38, respectively) .
Smiles
CN1CCC(CC1)=C1c2ccccc2Sc2ccccc12
Molecular Formula
C19H19NS
Molecular Weight
293.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pimethixene

1-methyl-4-(9-thioxanthenylidene)piperidine is a member of thioxanthenes.

CAS Number314-03-4
PubChem CID4822
IUPAC Name1-methyl-4-thioxanthen-9-ylidenepiperidine
Molecular FormulaC19H19NS
Molecular Weight293.4
XLogP3.9
Topological Polar Surface Area28.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity382
SMILES
CN1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1
InChI
InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3
InChIKey
NZLVRVYNQYGMAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pimethixene
CAS: 314-03-4
CID: 4822
Formula: C19H19NS
MW: 293.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass293.12382078
Monoisotopic Mass293.12382078
Topological Polar Surface Area28.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
462627-01Pimethixene
MBS5753700Pimethixene maleate
462629-01Pimethixene-d3

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