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Creatine-d3

CAT: 0804-HY-W010388S1-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W010388S1-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Creatine-d3 is the deuterium labeled Creatine. Creatine, an endogenous amino acid derivative, plays an important role in cellular energy, especially in muscle and brain[2].
CAS Number
143827-19-4
UNSPSC
12352211
Target
Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Purity
99.52
Solubility
H2O : 16.67 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
OC(CN(C([2H])([2H])[2H])C(N)=N)=O
Molecular Formula
C4H6D3N3O2
Molecular Weight
134.15
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Nouioua S, et al. Creatine deficiency syndrome. A treatable myopathy due to arginine-glycine amidinotransferase (AGAT) deficiency. Neuromuscul Disord. 2013 Aug;23 (8) :670-4.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Creatine D3

Creatine D3 is a deuterated compound.

CAS Number143827-19-4
PubChem CID12205340
IUPAC Name2-[carbamimidoyl(trideuteriomethyl)amino]acetic acid
Molecular FormulaC4H9N3O2
Molecular Weight134.15
XLogP-1.2
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity134
SMILES
[2H]C([2H])([2H])N(CC(=O)O)C(=N)N
InChI
InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)/i1D3
InChIKey
CVSVTCORWBXHQV-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Creatine D3
CAS: 143827-19-4
CID: 12205340
Formula: C4H9N3O2
MW: 134.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.15
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass134.088306776
Monoisotopic Mass134.088306776
Topological Polar Surface Area90.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity134
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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