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Guaifenesin-d5

CAT: 0804-HY-B0264S1-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0264S1-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Guaifenesin-d5 is the deuterium labeled Guaifenesin. Guaifenesin (Guaiacol glyceryl ether), a constituent of guaiac resin from the wood of Guajacum officinale Linné, is an expectorant. Guaifenesin can alleviate cough discomfortby increasing sputum volume and decreasing its viscosity, thereby promoting effective cough. Guaifenesin also has narcotic effect[1][2].
CAS Number
1329563-41-8
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Neurological Disease
Solubility
10 mM in DMSO
Smiles
O(C(C(C(O)([2H])[2H])(O)[2H])([2H])[2H])C1=C(OC)C=CC=C1
Molecular Formula
C10H9D5O4
Molecular Weight
203.25
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Bennett, S., N. Hoffman, and M. Monga, Ephedrine- and guaifenesin-induced nephrolithiasis. J Altern Complement Med, 2004. 10 (6) : p. 967-9.|[3]Dicpinigaitis PV, et, al. Effect of guaifenesin on cough reflex sensitivity. Chest. 2003 Dec;124 (6) :2178-81.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

rac Guaifenesin-d5
CAS Number1329563-41-8
PubChem CID71317163
IUPAC Name1,1,2,3,3-pentadeuterio-3-(2-methoxyphenoxy)propane-1,2-diol
Molecular FormulaC10H14O4
Molecular Weight203.25
XLogP1.4
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity151
SMILES
[2H]C([2H])(C([2H])(C([2H])([2H])OC1=CC=CC=C1OC)O)O
InChI
InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3/i6D2,7D2,8D
InChIKey
HSRJKNPTNIJEKV-RORPNYJOSA-N
Chemical Structure
2D Structure
2D structure of rac Guaifenesin-d5
CAS: 1329563-41-8
CID: 71317163
Formula: C10H14O4
MW: 203.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.25
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass203.12059265
Monoisotopic Mass203.12059265
Topological Polar Surface Area58.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity151
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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