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Acesulfame-d4 (potassium)

CAT: 0804-HY-D0195SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D0195SSize:1 mg
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Description
Acesulfame-d4 potassium is the deuterium labeled Acesulfame (potassium). Acesulfame potassium is an artificial sweetener. Acesulfame potassium (long-term) affects cognitive functions, potentially via altering neuro-metabolic functions in mice[2].
CAS Number
1623054-53-4
UNSPSC
12352005
Target
Biochemical Assay Reagents; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
O=C1[N-]S(OC(C([2H])([2H])[2H])=C1[2H])(=O)=O.[K+]
Molecular Formula
C4D4KNO4S
Molecular Weight
205.27
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Acesulfame-d4 Potassium Salt
CAS Number1623054-53-4
PubChem CID57369219
IUPAC Namepotassium 5-deuterio-2,2-dioxo-6-(trideuteriomethyl)-1-oxa-2lambda6-thia-3-azanidacyclohex-5-en-4-one
Molecular FormulaC4H4KNO4S
Molecular Weight205.27
Topological Polar Surface Area69.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity288
SMILES
[2H]C1=C(OS(=O)(=O)[N-]C1=O)C([2H])([2H])[2H].[K+]
InChI
InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1/i1D3,2D;
InChIKey
WBZFUFAFFUEMEI-LHHVLQQYSA-M
Chemical Structure
2D Structure
2D structure of Acesulfame-d4 Potassium Salt
CAS: 1623054-53-4
CID: 57369219
Formula: C4H4KNO4S
MW: 205.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.27
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass204.97491725
Monoisotopic Mass204.97491725
Topological Polar Surface Area69.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity288
Isotope Atom Count4
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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