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CNS-5161 hydrochloride

CAT: 0931-T10852-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10852-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160756-38-7
Target
NMDAR, iGluR
Related Pathways
Membrane transporter/Ion channel, Neuroscience
Purity
0.9969
Bioactivity
CNS-5161 hydrochloride (CNS 5161A) is a new antagonist of NMDA ion-channel. It interacts with the NMDA receptor/ion channel site to produce a noncompetitive blockade of the actions of glutamate.
Smiles
Cl.ClC1=CC=C(SC)C=C1NC(=N)N(C=2C=CC=C(SC)C2)C
Molecular Formula
C16H19Cl2N3S2
Molecular Weight
388.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CNS-5161 hydrochloride
CAS Number160756-38-7
PubChem CID9886565
IUPAC Name2-(2-chloro-5-methylsulfanylphenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine;hydrochloride
Molecular FormulaC16H19Cl2N3S2
Molecular Weight388.4
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity380
SMILES
CN(C1=CC(=CC=C1)SC)C(=NC2=C(C=CC(=C2)SC)Cl)N.Cl
InChI
InChI=1S/C16H18ClN3S2.ClH/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17;/h4-10H,1-3H3,(H2,18,19);1H
InChIKey
ZTVHYOCKPFPHFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CNS-5161 hydrochloride
CAS: 160756-38-7
CID: 9886565
Formula: C16H19Cl2N3S2
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass387.0397454
Monoisotopic Mass387.0397454
Topological Polar Surface Area92.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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MBS3614773-01CNS-5161 hydrochloride
A20308-50CNS-5161 hydrochloride 50mg
A20308-10CNS-5161 hydrochloride 10mg
A20308-5CNS-5161 hydrochloride 5mg
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A20308-1CNS-5161 hydrochloride 1mg
A20308-10mM-DCNS-5161 hydrochloride 10mM * 1mL in DMSO
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