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Creatine D3 hydrate

CAT: 0013-GTR19155704-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155704-02Size:200 mg
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Description
Creatine D3 hydrate is a deuterium labeled Creatine hydrate. Creatine hydrate is pivotal in energy metabolism of muscle and brain cells, both in physiological and in pathological conditions.
CAS Number
284664-86-4
Product Name Alternative
CREATINE- (METHYL-D3) MONOHYDRATE
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
H2O:25 mg/mL (164.29 mM; ultrasonic and warming and heat to 60°C)
Smiles
OC (CN (C ([2H]) ([2H]) [2H]) C (N) =N) =O.O
Molecular Formula
C4H8D3N3O3
Molecular Weight
152.17
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Glycine, N-(aminoiminomethyl)-N-(methyl-d3)-, hydrate (1:1)
CAS Number284664-86-4
PubChem CID16213871
IUPAC Name2-[carbamimidoyl(trideuteriomethyl)amino]acetic acid;hydrate
Molecular FormulaC4H11N3O3
Molecular Weight152.17
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity134
SMILES
[2H]C([2H])([2H])N(CC(=O)O)C(=N)N.O
InChI
InChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2/i1D3;
InChIKey
MEJYXFHCRXAUIL-NIIDSAIPSA-N
Chemical Structure
2D Structure
2D structure of Glycine, N-(aminoiminomethyl)-N-(methyl-d3)-, hydrate (1:1)
CAS: 284664-86-4
CID: 16213871
Formula: C4H11N3O3
MW: 152.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.17
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass152.09887146
Monoisotopic Mass152.09887146
Topological Polar Surface Area91.4 Ų
Heavy Atom Count10
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 Count2
Compound Is CanonicalizedYes

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