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Lecozotan HCl

CAT: 0931-T27806-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T27806-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
433282-68-9
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9972
Bioactivity
Lecozotan HCl (SRA-333) is a potent and selective 5-HT antagonist that significantly enhances KCl-stimulated glutamate and acetylcholine release from the hippocampal dentate gyrus and has cognitive enhancing properties. Chronic administration of Lecozotan HCl did not induce 5-HT (1A) receptor tolerance or desensitization in a behavioral model demonstrating 5-HT (1A) receptor function.
Smiles
[C@H](CN(C(=O)C1=CC=C(C#N)C=C1)C2=CC=CC=N2)(C)N3CCN(C4=C5C(=CC=C4)OCCO5)CC3.Cl
Molecular Formula
C28H30ClN5O3
Molecular Weight
520.02
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lecozotan hydrochloride
CAS Number433282-68-9
PubChem CID11156648
IUPAC Name4-cyano-N-[(2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-N-pyridin-2-ylbenzamide;hydrochloride
Molecular FormulaC28H30ClN5O3
Molecular Weight520.0
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity770
SMILES
C[C@H](CN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=C5C(=CC=C4)OCCO5.Cl
InChI
InChI=1S/C28H29N5O3.ClH/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23;/h2-12,21H,13-18,20H2,1H3;1H/t21-;/m1./s1
InChIKey
GXYZREDEYDFJPT-ZMBIFBSDSA-N
Chemical Structure
2D Structure
2D structure of Lecozotan hydrochloride
CAS: 433282-68-9
CID: 11156648
Formula: C28H30ClN5O3
MW: 520.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass519.2037175
Monoisotopic Mass519.2037175
Topological Polar Surface Area81.9 Ų
Heavy Atom Count37
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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