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Modaline sulfate

CAT: 0013-GTR19162406-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162406-06Size:50 mg
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Description
Modaline, 2-methyl-3-piperidinopyrazine derivative, was found to inhibit monoamine oxidase (MAO) and showed therapeutic anti-depressant activity. This compound potentiated convulsions induced by tryptamine and hyperthermia induced by dopa similar to other MAO inhibitors.
CAS Number
2856-75-9
Purity
>98% (HPLC)
Solubility
Water: 10 mM
Smiles
OS (O) (=O) =O.CC1=NC=CN=C1N1CCCCC1
Molecular Formula
C10H17N3O4S
Molecular Weight
275.33
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Modaline Sulfate

See also: Modaline (has active moiety).

CAS Number2856-75-9
PubChem CID17859
IUPAC Name2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid
Molecular FormulaC10H17N3O4S
Molecular Weight275.33
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity236
SMILES
CC1=NC=CN=C1N2CCCCC2.OS(=O)(=O)O
InChI
InChI=1S/C10H15N3.H2O4S/c1-9-10(12-6-5-11-9)13-7-3-2-4-8-13;1-5(2,3)4/h5-6H,2-4,7-8H2,1H3;(H2,1,2,3,4)
InChIKey
GJXZNORUUOVBKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Modaline Sulfate
CAS: 2856-75-9
CID: 17859
Formula: C10H17N3O4S
MW: 275.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass275.09397721
Monoisotopic Mass275.09397721
Topological Polar Surface Area112 Ų
Heavy Atom Count18
Formal Charge0
Complexity236
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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