Deuterated Compounds

Stability Toxic
Applications Isotopopically Labelled analogue of Captan (C175725), which is an acetylcholinesterase inhibitor acting as a fungicide (1), often added to pesticide mixtures to control diseases among fruits and vegetables. Detected through various analytical techniques involving pesticide residues such as MS-PD and GC-MS (2). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants. Also used in cannabis testing.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References 1. Afful, S. et al.: Res. J. App. Sci. Eng. Tech. (2010) 14 Jul:2(6) 592-52. Engelen, K. et al.: J. Proteome. Res. 2010 Oct 1;9(10):4919-263. Lagunas-Allue, L. et al.: Anal. Bioanal. Chem. 2010 Oct;398(3):1509-23

Applications 1,4-Dibromobutane-d8 is used in studies pertaining to sulforaphane, a naturally occuring isothiocyanate present in broccoli that shows anti-carcinogenic activity. It is an analog of 1,4-Dibromobutane, a compund used as a catalyst in the polymerization of 2-oxazolines.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Kuhnert, N. et al.: J. Label. Compd. Radiopharm., 47, 501 (2004); Kobayashi, S. et al.: Macromol., 25, 3232 (1992);

Applications Hydantoin-5-13C,1-15N (cas# 1189697-61-7) is a compound useful in organic synthesis.

Applications Pinoxaden-d3 is a deuterized labeled form of Pinoxaden (P469505), which is derived from Diethylene Glycol Dimethanesulfonate (D444275), an intermediate in the production of alkylating agents.
References Wong, I., et al.: J. Med. Chem., 52, 5311 (2009); Muehlebach, M., et al.: Bioorg. Med. Chem., 17, 4241 (2009)

Applications Carbamazepine-D10 is used to study occurrence of emerging trace organic chemicals in wastewater effluents in Saudi Arabia.
References Alidina, M., et al.: Sci. Total Environ., 478, 152 (2014);

Applications δ-Valerolactam-d4 is a labeled analog of δ-Valerolactam (V091440), which is a useful synthetic intermediate. It is an intermediate used to synthesize Cenicriviroc (C256550), an experimental drug candidate for the treatment of HIV infection. It is also a starting material for a new route to hexahydrojulolidines, using intramolecular 1,4-cycloaddition.
References Potts, K., et al. J. Org. Chem., 58, 5040 (1993); Klibanov, O., et al.: Curr. Opinion Invest. Drugs, 11, 940 (2010);

Applications Dimethyl phthalate-3,4,5,6-d4

Applications Nonanoic-6,6,7,7-d4 Acid (CAS# 1219795-27-3) is the labelled version of n-Nonanoic Acid (N649385(P)), which is commonly used in conjunction with glyphosate, a non-selective herbicide, for a quick burn-down effect in the control of weeds in turfgrass. It is also used in the preparation of plasticizers and lacquers.
References Pline, W., et al.: Weed Technol., 14, 667 (2000); Frade, J., et al.: Anal. Bioanal. Chem., 395, 2167 (2009);

Applications Bromoacetic-2-13C Acid is the isotope labelled analog of Bromoacetic Acid (B679075); a relatively strong alkylating agent as well as a versatile building block used very commonly in organic synthesis. Bromoacetic acid has been shown to reversibly inhibit human erythrocyte carbonic anhydrase B.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Song, C. et al.: J. Org. Synth., 74, 8980 (2009); Kramer, S.P. et al.: J. Nat. Cancer Inst., 31, 297 (1963); Whitney, P.L. et al.: Eur. J. Biochem., 16, 126 (1970)

Applications Contact herbicide used also to produce desiccation and defoliation.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Brian, et al.: Nature, 181, 446 (1958), Gaines, T.B., et al.: Fundam. Appl. Toxicol., 7, 299 (1986),

Applications N,N-Dimethylacetamide (D9, 99%) (cas# 16727-10-9) is a useful research chemical.

Applications 4-Desacetamido-4-chloro Andarine-D4 is a labelled analogue of 4-Desacetamido-4-chloro Andarine (D289535). 4-Desacetamido-4-chloro Andarine is a Selective Androgen Receptor Modulator (SARM) that has potential use for treatment of androgen related diseases such as muscle wasting and osteoporosis. 4-Desacetamido-4-chloro Andarine also a derivative of Andarine (A637470), a non-steroidal SARM that is used by athletes to enhance performance.
References Jones, A., et al.: Endocrinology, 150, 385 (2009); Marhefka, C., et al.: J. Med. Chem., 47, 993 (2004); Thomas, A., et al.: Rapid Comm. Mass Spec., 24, 1124 (2010)

Applications Labelled insecticidal, acaricidal, and fungicidal combinations of carboxamides and other pesticides.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Dugo, G., et al.: Food Chem., 16, 435 (2005), Caldas, E., et al.: Toxicology, 222, 132 (2006), Cabras, P., et al.: J. Agric. Food Chem., 45, 2244 (1997), Wilkinson, C., et al.: Regul. Toxicol. Pharmacol., 31, 30 (2000),

Applications 3-Hydroxypropionic Acid-D4 Sodium Salt is a deuterium labelled analogue of 3-Hydroxypropionic Acid Sodium Salt (H952480), which is beta hydroxy acid derived from plants and crops such as corn. 3-Hydroxypropionic Acid is used in the preparation of acrylates and biodegradable polymer polyester.
References Wang, Y. et al.: Biomacromol., 3, 828 (2002); Jiang, X. et al.: Appl. Microbiol. Biotech., 82, 995 (2009);

Applications Post-emergence sulfonylurea herbicide.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Gubbiga, N.G., et al.: Weed Technol., 9, 574 (1995), Ukrainczyk, L., et al.: J. Agric. Food Chem., 43, 855 (1995)

Applications Isotope labelled 1,3-Propanediol, a common organic reagent used in the synthesis of polymers and used in industrial organic chemistry for the synthesis of lubricants, foods, medicines and cosmetics.
References Sun, Y. et al.: Bioproc. Renew. Res. Commod. Bioprod., 289 (2014);

Applications Ethylbenzene-13C6 is the labeled form of Ethylbenzene (E899745), which is used in the industrial production of stryrene trough various organic processes.
References Weiss, W. et al.: Prog. Surf. Sci., 70, 1 (2002); Cavani, F. et al.: App. Catal. A., 133, 219 (1995);

Applications Cyclopentanone-2,2,5,5-d4 (CAS# 3997-89-5) is a useful isotopically labeled research compound.

Stability Unstable in Solution, Hygroscopic
Applications Used in nucleophilic substitution.
References Genicot, C., et al.: Bioorg. Med. Chem. Lett., 13, 437 (2003),

Applications N1-Acetylspermidine-d3 Dihydrochloride is the isotope labelled analog of N1-Acetylspermidine Dihydrochloride (A187845); an analog of Spermidine (S680400) which is an antineoplastic.
References Bergeron, R. et al.: J. Med. Chem, 40, 1475 (1997)

Applications Aminoguanidine-13C Bicarbonate is a compound useful in organic synthesis.

Stability Hygroscopic
Applications N-Ethyl Benzamid-3-carboxylate-d5 is the isotope labelled analog of N-Ethyl Benzamid-3-carboxylate. N-Ethyl Benzamid-3-carboxylate is an impurity of Deet (D228500) which is an insect repellent.
References Gilbert, I.H., et al.: J. Econ. Entomol., 48, 741 (1955), Ambrose, A.M., et al.: Toxicol. Appl. Pharmacol., 1, 97 (1959), Blomquist, L., Acta Pharmacol. Toxicol., 41, 235 (1977), Yeung, J.M., et al.: Drug Metab. Dispos., 16, 600 (1988),

Applications It is the labeled analogue of Indocyanine Green (I697000), a tricarbocyanine type of dye with infrared absorbing properties that can be used as a diagnostic aid (blood volume determination, cardiac output, hepatic function).
References Papageorgiou, P., et al.: Br. J. Dermatol., 142, 973 (2000), Dreno, B., et al.: Dermatology, 203, 135 (2001), Gollnick, H., et al.: Drugs, 63, 1579 (2003), Seaton, E., et al.: Lancet, 362, 1347 (2003),

Applications Ethane-d5-thiol (CAS# 61260-03-5) is a useful isotopically labeled research compound.

Applications n-Decyltrimethylammonium Chloride is an isotope labelled quaternary ammonium salt used to study ionic interactions of detergents with lipid membranes.
References Beck, A., et al.: J. Phy. Chem., 48, 15862 (2010);

Applications Isovaleric Acid Ethyl-d5 Ester is the labeled analogue of Isovaleric Acid Ethyl Ester (I917575), an odorant found in soy sauce.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Feng, Y., et. al.: Food Chem., 167, 220 (2015)

Applications Theobromine-d3 (7-methyl-d3) is deuterium labelled theobromine, which is a metabolite of caffeine.
References Suto, M., et al.: Anticancer Drug Des., 6, 107 (1991); Burkart, V., et al.: Nat. Med., 5, 314 (1999); Hassa, P., et al.: J. Biol. Chem., 278, 45145 2003); Veres, B., et al.: J. Pharmacol. Exp. Ther., 310, 247 (2004)

Applications Herbicide used to control the spread of weedgrass.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Haith, D., et al.: Environ. Sci. Technol., 44, 6496 (2010), Jabran, K., et al.: Int. J. Agric. Biol., 12, 335 (2010), Rahaman, S., et al.: Environ. Ecol., 28, 1 (2010),

Applications Carbetamide-D5 is the labelled analogue of Carbetamide (C178028). Carbetamide is used in the determination of pesticides.
References Jia, W., et al.: Journal of Chromatogr. A., 1395, 160-166 (2015)

Applications A labelled antibacterial agent.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Piipari, R., et al.: Clin. Exp. Allergy, 28, 358 (1998), Kanerva, L., et al.: Contact Dermatitis, 44, 193 (2001), Frauen, M., et al.: J. Pharm. Biomed. Anal., 25, 965 (2001),

Applications Thiouracil-13C,15N2 is the labelled version of 2-Thiouracil (T375400), which is a reagent used in the preparation of Antithyroid agents.
References Toropov, A., et al.: Eur. J. Med. Chem., 45, 3581 (2010), Daniels, C., et al.: J. Bacteriol., 192, 2169 (2010), Castillo-Garit, J., et al.: Eur. J. Pharm. Sci., 39, 30 (2010),

Applications Isotope labelled analogue of Isobutyric Acid, a carboxylic acid found in vanilla. Isobutryic Acid was used as an intermediate in the synthesis of novel inhibitors of signal transducer and activators of transcription 3 signaling pathway.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Zhang, M.M., et al.: Euro. J. Med. Chem., 62, 301 (2013);

Applications Labelled 2,3-Butanedione (B690030). 2,3-Butanedione (Diacetyl), the molecule implicated in the disease known as popcorn lung, has now been implicated in amyloid-β peptide toxicity associated with Alzheimer’s disease. Diacetyl accelerates amyloid-β aggregation-a hallmark of Alzheimer’s disease. These preliminary finding raise the possibility of long-term neurological toxicity mediated by DA.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Wang, J., et al.: Exp. Neurol., 158, 328 (1999); Brown, M., et al.: Cell, 100, 391 (2000); Heinitz, K., et al.: J. Neurochem., 98, 1930 (2006); Brody, D., et al.: Science, 321, 1221 (2008); More, S., et al.: J. Med. Chem., 52, 4650 (2009);

Applications Sodium Formate (13c, 99%; D, 98%) (cas# 1215684-17-5) is a useful research chemical.

Applications Isotope labelled 1,3-Dibromopropane is a substrate specificity of haloalkane dehalogenases.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Koudelakova, T., et al.: Biochem. J., 435, 345 (2011),

Applications The toxicity of halogenated benzoic acids was found to be directly related to the compound's hydrophobicity. Toxicity and quantitative structure-activity relationships of benzoic acids to Pseudokirchneriella subcapitata. This is the labelled analog.
References Moore, D., et al.: Environ. Toxicol. Chem., 16, 794 (1997), Zhao, Y., et al.: Sci. Total Environ., 216, 205 (1998), Fiorentino, A., et al.: J. Agric.Food Chem., 51, 1005 (2003),

Applications Flutolanil-d7 is a labeled analogue of Flutolanil (F599430), a fungicide that has been used for controlling brown patch on creeping bentgrass fairways.
References Daniels, J.P., Latin, R.: Plant Disease, 97, 1620 (2013)

Applications Adipic Acid-13C6 is labelled Adipic Acid (A291590) which is primarily used in the synthesis of nylon. It has been used as a reagent in the solid-state polymerization of nylon analogs.
References Kim, Y. et al.: Ind. Eng. Chem. Res., 51, 15801 (2012)

Applications Isotope labelled 2-Toluidine (T536205) is a carcinogenic and toxic aromatic amine and is a potential bladder cancer risk, surmised from urine assessment and analysis (1). It is contained in hair dye, henna and dyed hair samples (2,3). Possible mutagen (4). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References 1. El-Bayoumy, K. et al.: Cancer Res. 1986 Dec;46(12 Pt 1):6064-7.2. Turesky R. et al.: Chem. Res. Toxicol. 2003 Sep;16(9):1162-73.3. Andrew, A. et al.: Int. J. Cancer. 2004 Apr 20;109(4):581-6.4. Kirkland, D. et al.: Mutat. Res. 2005 Dec 30;588(2):88-105.

Applications 4-Hydroxybenzhydrazide-d4 Major is labelled 4-Hydroxybenzhydrazide which works as an indicator in the determination of carbohydrates. Tissue (liver) bounded 4-Hydroxybenzhydrazide, the acid-hydrolyzable side chain of Nifuroxazide (N458500) can be used as a marker to monitor it’s use as an antibiotic in chicken.
References Lever, M., et al.: Anal. Biochem., 139, 205 (1984); Rocco, M., et al.: Anal. Biochem., 377, 251 (2008); Gao, F., et al.: J. Sci. Food Agr., 93, 2172 (2013)

Applications A labelled metabolite of Amodiaquine (A634200), an antimalarial.
References Bayliss, M., et al.: Xenobiotica, 29, 253 (1999), Projean, D., et al.: Drug Metab. Dispos., 31, 748 (2003), Bray, P., et al.: Mol. Microbiol., 56, 323 (2005), Xiang, H., et al.: J. Pharm. Sci., 95, 2657 (2006),

Applications Dibenzylamine-d10 is the isotope labelled analog of Dibenzylamine (D417505); a chemical contaminant in L-(+)-β-hydroxybutyrate that exhibits direct anticonvulsant actions in vivo.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Rho, J.M., et al.: Epilepsia, 43, 358 (2002)

Applications N,N-Dimethylformamide-13-C is the isotope labelled analog of N,N-Dimethylformamide. N,N-Dimethylformamide-d7 is used as a cofactor for enzymic oxidation of brassinin, which allows the transformation of dithiocarbamate group into an aldehyde equivalent.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Pedras, M., et al.: Bioorg. Med. Chem., 19, 1390 (2011);

Applications rac Fosfomycin-D5 (Major) Benzylamine Salt is the deuterium labelled analogue of Fosfomycin antibiotic. Related to Fosfomycin Disodium Salt (F727500), rac Fosfomycin-13C3 Benzylamine Salt (F727502), Fosfomycin Tromethamine (F727505), and Fosfomycin Calcium (F727508).
References Goto, M., et al.: Antimicrob. Agents Chemother., 20, 393 (1981); Michalopoulos, A. et al.: Int. J. Infect. Dis., 15, e732 (2011); Matsumoto, T. et al.: J. Infection. Chemother., 17, 80 (2011); Keating, G. et al.: Drugs, 73, 1951 (2013); Demir, T. et al.: Int. J. Infect. Dis., 17, e966 (2013);

Applications Acetoin-13C4 is the labeled analogue of the unlabeled (A163775), which is used in food flavoring and fragrances and is also found in some fruits and vegetables.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Dutta, S.M. et al.: Ind. J. Dairy Sci., 24, 107 (1971);

Applications L-(+)-Lactic Acid-13C3 Sodium Salt is the isotope labelled analog of L-(+)-Lactic Acid Sodium Salt. Sodium Salt of Lactic Acid (L113500). L-Lactic Acid occurs in small quantities in the blood and muscle fluid of man and animals. The lactic acid concentration increases in muscle and blood after vigorous activity. L-(+)-Lactic acid is also present in liver, kidney, thymus gland, human amniotic fluid, and other organs and body fluids.
References Borsook, et al.: J. Biol. Chem., 102, 449 (1933); Brin, M., et al.: Ann. N.Y. Acad. Sci., 119, 851 (1965);

Stability Hygroscopic
Applications N-Acetylneuraminic Acid-13C,d3 is a labelled Neuraminic Acid derivative.
References Oetke, C., et al.: J. Biol. Chem., 277, 6688 (2002)

Stability Hygroscopic
Applications Alternariol Monomethyl Ether-d3 is labelled methyl este analog fo Alternariol. An alternaria mycotoxin and genotoxin, found in common edible crops. It inhibits the activity of various DNA-topoisomerases, increasing the rate of DNA strand breaks.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Asam, S., et al.: J. Agric. Food Chem., 57, 5152 (2009); Fehr, M., et al.: Mol. Nut. Food Res., 53, 441 (2009); Tiemann, U., et al.: Toxicol. Lett., 186, 139 (2009);