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Tracazolate hydrochloride

CAT: 1410-M27728-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M27728-02Size:2 mg
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Description
Tracazolate hydrochloride is a modulator of the GABAA receptor with anxiolytic and anticonvulsant activity.
CAS Number
1135210-68-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
340.85
Molecular Formula
C16H25ClN4O2
Notes
Research use only, not for human use.
Receptor
——

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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