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Trimethylamine N-oxide-d9

CAT: 1568-C04751-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C04751-5mgSize:5 mg
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CAS Number
1161070-49-0
Additionnal Information
Trimethylamine N-oxide-d9 is the deuterium labeled Trimethylamine N-oxide. Trimethylamine N-oxide is a gut microbe-dependent metabolite of dietary choline and other trimethylamine-containing nutrients. Trimethylamine N-oxide induces inflammation by activating the ROS/NLRP3 inflammasome. Trimethylamine N-oxide also accelerates fibroblast-myofibroblast differentiation and induces cardiac fibrosis by activating the TGF-β/smad2 signaling pathway.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

N,N-Bis((~2~H_3_)methyl)(~2~H_3_)methanamine N-oxide
CAS Number1161070-49-0
PubChem CID71752814
IUPAC Name1,1,1-trideuterio-N,N-bis(trideuteriomethyl)methanamine oxide
Molecular FormulaC3H9NO
Molecular Weight84.16
XLogP-0.3
Topological Polar Surface Area18.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity28
SMILES
[2H]C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])[O-]
InChI
InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3/i1D3,2D3,3D3
InChIKey
UYPYRKYUKCHHIB-GQALSZNTSA-N
Chemical Structure
2D Structure
2D structure of N,N-Bis((~2~H_3_)methyl)(~2~H_3_)methanamine N-oxide
CAS: 1161070-49-0
CID: 71752814
Formula: C3H9NO
MW: 84.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight84.16
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass84.124904624
Monoisotopic Mass84.124904624
Topological Polar Surface Area18.1 Ų
Heavy Atom Count5
Formal Charge0
Complexity28.4
Isotope Atom Count9
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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Alternative Products

CatalogName
MBS6108438-01Trimethylamine-d9 N-Oxide
E8084-5mgTrimethylamine N-oxide-d9
FT15235-01Trimethylamine N-oxide
T1032-005Trimethylamine N-oxide, 98%
CS-O-60999Trimethylamine N-Oxide-d3
HY-108915-01Trimethylamine N-oxide (dihydrate)
290528-01Trimethylamine-N-oxide dihydrate
sc-296626ATrimethylamine N-oxide dihydrate
OR72428-01Trimethylamine N-Oxide Anhydrous

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