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Etazolate hydrochloride

CAT: 0607-B6304-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6304-50Size:50 mg
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Description
PDE-4 inhibitor and selective GABA-A receptor modulator
CAS Number
35838-58-5
Product Name Alternative
ethyl 1-ethyl-4-(2-(propan-2-ylidene)hydrazinyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate hydrochloride
Field of Research
Metabolism PDE
Purity
0.9842
Form
A solid
Solubility
≥7.75 mg/mL in DMSO; ≥9.94 mg/mL in EtOH; insoluble in H2O
Smiles
O=C(C1=CN=C2N(CC)N=CC2=C1N/N=C(C)\C)OCC.Cl
Molecular Formula
C14H19N5O2·HCl
Molecular Weight
325.8
Shipping Conditions
Room Temperature
Storage Conditions
Store at RT.

Chemical Information

Etazolate Hydrochloride

See also: Etazolate (has active moiety).

CAS Number35838-58-5
PubChem CID37274
IUPAC Nameethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
Molecular FormulaC14H20ClN5O2
Molecular Weight325.79
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity397
SMILES
CCN1C2=NC=C(C(=C2C=N1)NN=C(C)C)C(=O)OCC.Cl
InChI
InChI=1S/C14H19N5O2.ClH/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2;/h7-8H,5-6H2,1-4H3,(H,15,18);1H
InChIKey
GQJUGJHJUZSJLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etazolate Hydrochloride
CAS: 35838-58-5
CID: 37274
Formula: C14H20ClN5O2
MW: 325.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.79
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass325.1305526
Monoisotopic Mass325.1305526
Topological Polar Surface Area81.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity397
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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