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Tracazolate hydrochloride

CAT: 0931-T23470-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T23470-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1135210-68-2
Target
GABA Receptor
Related Pathways
Membrane transporter/Ion channel, Neuroscience
Purity
0.9952
Bioactivity
Tracazolate hydrochloride (Tracazolate (hydrochloride) ) is a modulator of the GABAA receptor with anxiolytic and anticonvulsant activity. Tracazolate hydrochloride potentiates α1β1γ2s and α1β3γ2 with EC50s of 13.2 μM and 1.5 μM.
Smiles
Cl.CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12
Molecular Formula
C16H25ClN4O2
Molecular Weight
340.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tracazolate hydrochloride
CAS Number1135210-68-2
PubChem CID24871267
IUPAC Nameethyl 4-(butylamino)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
Molecular FormulaC16H25ClN4O2
Molecular Weight340.8
Topological Polar Surface Area69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity366
SMILES
CCCCNC1=C2C=NN(C2=NC(=C1C(=O)OCC)C)CC.Cl
InChI
InChI=1S/C16H24N4O2.ClH/c1-5-8-9-17-14-12-10-18-20(6-2)15(12)19-11(4)13(14)16(21)22-7-3;/h10H,5-9H2,1-4H3,(H,17,19);1H
InChIKey
TUIXDPUEMQXVHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tracazolate hydrochloride
CAS: 1135210-68-2
CID: 24871267
Formula: C16H25ClN4O2
MW: 340.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass340.1666037
Monoisotopic Mass340.1666037
Topological Polar Surface Area69 Ų
Heavy Atom Count23
Formal Charge0
Complexity366
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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