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L-Carnitine-d3 Chloride

CAT: 0931-TMIH-0296Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIH-0296Size:1 mg
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CAS Number
350818-62-1
Target
ROS, Reactive Oxygen Species
Related Pathways
Metabolism, Immunology/Inflammation, NF-κB
Bioactivity
L-Carnitine-d3 Chloride ((R) -Carnitine-d3 hydrochloride) is the deuterated form of L-Carnitine hydrochloride, used as an internal standard for detecting total carnitine in raw materials. L-Carnitine (L (-) -Carnitine) is an endogenous human molecule involved in fatty acid metabolism.
Smiles
C([N+](C([2H])([2H])[2H])(C)C)[C@@H](CC(O)=O)O.[Cl-]
Molecular Formula
C7H13D3ClNO3
Molecular Weight
200.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2R)-3-Carboxy-2-hydroxy-N,N-dimethyl-N-(~2~H_3_)methylpropan-1-aminium chloride
CAS Number350818-62-1
PubChem CID71309656
IUPAC Name[(2R)-3-carboxy-2-hydroxypropyl]-dimethyl-(trideuteriomethyl)azanium chloride
Molecular FormulaC7H16ClNO3
Molecular Weight200.68
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity139
SMILES
[2H]C([2H])([2H])[N+](C)(C)C[C@@H](CC(=O)O)O.[Cl-]
InChI
InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i1D3;
InChIKey
JXXCENBLGFBQJM-QKBJTWEASA-N
Chemical Structure
2D Structure
2D structure of (2R)-3-Carboxy-2-hydroxy-N,N-dimethyl-N-(~2~H_3_)methylpropan-1-aminium chloride
CAS: 350818-62-1
CID: 71309656
Formula: C7H16ClNO3
MW: 200.68
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight200.68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass200.1007013
Monoisotopic Mass200.1007013
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity139
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes