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Adipic acid-d4-1

CAT: 0804-HY-W017522S5Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W017522S5Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Adipic acid-d4-1 (Hexanedioic acid-d4-1) is the deuterium labeled Adipic acid. Adipic acid (Hexanedioic acid) is an orally active compound with anti-HSV-1 activity. Adipic acid has low toxicity and can be used as a food additive and a gelling agent. Adipic acid can also be used in the synthesis of lubricants, artificial resins, plastics, etc[1][2].
CAS Number
19031-55-1
Product Name Alternative
Hexanedioic acid-d4-1
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Endogenous Metabolite; HSV; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Metabolic Enzyme/Protease; Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Infection; Metabolic Disease
Solubility
10 mM in DMSO
Smiles
OC(C([2H])([2H])CCC([2H])([2H])C(O)=O)=O
Molecular Formula
C6H6D4O4
Molecular Weight
150.17
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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]G.Frauendienst-Egger, Friedrich K. Trefz (2017) . MetaGene: Metabolic & Genetic Information Center. METAGENE consortium.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Adipic acid-2,2,5,5-d4
CAS Number19031-55-1
PubChem CID12209289
IUPAC Name2,2,5,5-tetradeuteriohexanedioic acid
Molecular FormulaC6H10O4
Molecular Weight150.17
XLogP0.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity114
SMILES
[2H]C([2H])(CCC([2H])([2H])C(=O)O)C(=O)O
InChI
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i3D2,4D2
InChIKey
WNLRTRBMVRJNCN-KHORGVISSA-N
Chemical Structure
2D Structure
2D structure of Adipic acid-2,2,5,5-d4
CAS: 19031-55-1
CID: 12209289
Formula: C6H10O4
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass150.08301578
Monoisotopic Mass150.08301578
Topological Polar Surface Area74.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity114
Isotope Atom Count4
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
TRC-A291594-100MGAdipic Acid-d4 (Major)
sc-291848Adipic acid-2,2,5,5-d4
MBS3600971-01Adipic acid

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