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TRIA-662-d3

CAT: 0804-HY-113527S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113527S-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TRIA-662-d3 is the deuterium labeled TRIA-662[1]. TRIA-662 (1-Methylnicotinamide chloride) is an endogenous metabolite. TRIA-662 shows antithrombotic and anti-inflammatory activities[2].
CAS Number
1218993-18-0
Product Name Alternative
1-Methylnicotinamide-d3 (chloride)
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Purity
99.44
Solubility
H2O : 100 mg/mL (ultrasonic)
Smiles
[2H]C([N+]1=CC=CC(C(N)=O)=C1)([2H])[2H].[Cl-]
Molecular Formula
C7H6D3ClN2O
Molecular Weight
175.63
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]A M Kolodziejczyk, et al. Nanomechanical sensing of the endothelial cell response to anti-inflammatory action of 1-methylnicotinamide chloride. Int J Nanomedicine. 2013;8:2757-67.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

3-Carbamoyl-1-methyl-D3-pyridinium chloride
CAS Number1218993-18-0
PubChem CID159317290
IUPAC Name1-(trideuteriomethyl)pyridin-1-ium-3-carboxamide chloride
Molecular FormulaC7H9ClN2O
Molecular Weight175.63
Topological Polar Surface Area47
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
[2H]C([2H])([2H])[N+]1=CC=CC(=C1)C(=O)N.[Cl-]
InChI
InChI=1S/C7H8N2O.ClH/c1-9-4-2-3-6(5-9)7(8)10;/h2-5H,1H3,(H-,8,10);1H/i1D3;
InChIKey
BWVDQVQUNNBTLK-NIIDSAIPSA-N
Chemical Structure
2D Structure
2D structure of 3-Carbamoyl-1-methyl-D3-pyridinium chloride
CAS: 1218993-18-0
CID: 159317290
Formula: C7H9ClN2O
MW: 175.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.63
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass175.0591708
Monoisotopic Mass175.0591708
Topological Polar Surface Area47 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
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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