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Agmatine-d8 (sulfate)

CAT: 0804-HY-101238SSize: 1 EachDry Ice: NoHazardous: No
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Description
Agmatine-d8 sulfate is a deuterium labeled Agmatine sulfate. Agmatine sulfate exerts modulatory action at multiple molecular targets, such as neurotransmitter systems, ion channels and nitric oxide synthesis. It is an endogenous agonist at imidazoline receptor and a NO synthase inhibitor[1][2][3].
CAS Number
909556-32-7
UNSPSC
12352211
Target
Endogenous Metabolite; Imidazoline Receptor; Isotope-Labeled Compounds; NO Synthase
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; Neuronal Signaling; Others
Applications
Cancer-programmed cell death
Field of Research
Cancer; Neurological Disease
Smiles
O=S(O)(O)=O.N=C(N)NC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N
Molecular Formula
C5H8D8N4O4S
Molecular Weight
236.32
References & Citations
[1]Li G, et al. Agmatine: an endogenous clonidine-displacing substance in the brain. Science. 1994 Feb 18;263 (5149) :966-9.|[2]Reis DJ, et al. Is agmatine a novel neurotransmitter in brain? Trends Pharmacol Sci. 2000 May;21 (5) :187-93. |[3]Galea E, et al. Inhibition of mammalian nitric oxide synthases by agmatine, an endogenouspolyamine formed by decarboxylation of arginine. Biochem J. 1996 May 15;316 (Pt 1) :247-9.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

CID 131699346
CAS Number909556-32-7
PubChem CID131699346
IUPAC Name2-(4-amino-1,1,2,2,3,3,4,4-octadeuteriobutyl)guanidine;sulfuric acid
Molecular FormulaC5H16N4O4S
Molecular Weight236.32
Topological Polar Surface Area173
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity166
SMILES
[2H]C([2H])(C([2H])([2H])C([2H])([2H])N=C(N)N)C([2H])([2H])N.OS(=O)(=O)O
InChI
InChI=1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(H2,1,2,3,4)/i1D2,2D2,3D2,4D2;
InChIKey
PTAYFGHRDOMJGC-PHHTYKMFSA-N
Chemical Structure
2D Structure
2D structure of CID 131699346
CAS: 909556-32-7
CID: 131699346
Formula: C5H16N4O4S
MW: 236.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.32
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass236.13944015
Monoisotopic Mass236.13944015
Topological Polar Surface Area173 Ų
Heavy Atom Count14
Formal Charge0
Complexity166
Isotope Atom Count8
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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B6470-10000Agmatine sulfate
4026181.0001Agmatine · sulfate
A20485-1000Agmatine sulfate 1g
A20485-500Agmatine sulfate 500mg
A20485-100Agmatine sulfate 100mg
GTR19158530-01Agmatine sulfate salt

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