
Miscellaneous Organic Molecules with Isotopical Substitutions
In this section, you will find a variety of organic compounds used in synthetic chemistry that feature isotopical substitutions. These isotopically labeled molecules are invaluable in research applications such as tracing reaction pathways, studying metabolic processes, and conducting NMR spectroscopy. At CymitQuimica, we provide a comprehensive range of high-quality isotopically labeled organic molecules to support your advanced research and analytical needs.
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Cefpodoxime-d3 Acid
CAS:Controlled ProductStability Hygroscopic Applications A labelled metabolite of Cefpodoxime Proxetil (C243860). An antibacterial. References Fujimoto, K., et al.: J. Antibiot., 40, 370 (1987), Utsui, Y., et al.: Antimicrob. Agents Chemother., 31, 1085 (1987),Formula:C15H14D3N5O6S2Color and Shape:NeatMolecular weight:430.47Nicotelline-d9 (Major)
CAS:Controlled ProductApplications Isotope labelled Nicotelline is a Nicotine (N412420) related metabolite with potential as an inhibitor of human cytochrome P-450 2A6. 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 Denton, T. et al.: Biochem. Pharm., 67, 751 (2004); Gorrod, J. et al.: Anal. Det. Nic. Rel. Comp. Metab., 69, (1999);Formula:C15H2D9N3Color and Shape:NeatMolecular weight:242.15Oxindole-3-acetic Acid-13C6
CAS:Controlled ProductApplications Oxindole-3-acetic Acid-13C6 is labelled derivative of Indoleacetic Acid (I577342) which has the potential to be used in anti-cancer therapy in conjunction with horseradish peroxidase. References Kawano, T. et al.: Gen. Hypo. 60, 664 (2003)Formula:C6C4H9NO3Color and Shape:NeatMolecular weight:197.139Cholic Acid-d5
CAS:Controlled ProductApplications Labelled Choleretic produced by, and isolated from liver cells. References Nomoto, M., et al.: Biol. Pharm. Bull., 32, 172 (2009), Simonsen, H., et al.: J. Agric. Food Chem., 57, 2056 (2009), Miyata, M., et al.: Drug Metab. Disposition, 37, 338 (2009),Formula:C24H35D5O5Color and Shape:NeatMolecular weight:413.6Hexadecanoic-3,3-d2 Acid
CAS:Formula:CH3(CH2)12CD2CH2COOHPurity:98 atom % DColor and Shape:Colorless SolidMolecular weight:258.25278Dodecyl-d25-trimethylammoniumBromide
CAS:Formula:CD3(CD2)11N(CH3)3BrPurity:98 atom % DColor and Shape:White SolidMolecular weight:332.34438Glutathione Disulfide-13C4,15N2
CAS:Formula:C1613C4H32N415N2O12S2•x(NH4)Color and Shape:NeatMolecular weight:618.5918045-Hydroxy Dantrolene-d4
CAS:Controlled ProductStability Hygroscopic Applications A labelled metabolite of Dantrolene (D185000) that has shown to have muscle relaxant effects. References Ellis, K.O., et al.: J. Med. Chem., 21, 127 (1977), Jayyosi, Z., et al.: Drug Metab. Dispos., 21, 939 (1993),Formula:C14H6D4N4O6Color and Shape:NeatMolecular weight:334.28Fumaric-2,3-d2 Acid
CAS:Formula:HOOCCDCDCOOHPurity:98 atom % DColor and Shape:White Solid.Molecular weight:118.02351Desbutyl Lumefantrine-d9 (E/Z-Mixture)
CAS:Controlled ProductApplications A labelled metabolite of Lumefantrine (L474000). References Lefevre, G., et al.: Br. J. Clin. Pharmacol., 54, 485 (2002), Schepers, U., et al.: J. Pharm. Biomed. Anal., 310 (2005),Formula:C26H15D9Cl3NOColor and Shape:NeatMolecular weight:481.892,6-Di-tert-butyl-4-methyl-d3-phenol
CAS:Controlled ProductApplications 2,6-Di-tert-butyl-4-methyl-d3-phenol (CAS# 86819-59-2) is a useful isotopically labeled research compound. This compound has been shown to significantly have lower toxic potency in mice compared to butylated hydroxytolune (BHT). References Mizutani, T., et.al., Toxicol. Appl. Pharmacol. 69,283-290,(1983);Formula:C15D3H21OColor and Shape:White To Off-WhiteMolecular weight:223.37Tris(2-butyloxyethyl)phosphate-d27
CAS:Controlled ProductApplications Tris(2-butyloxyethyl)phosphate-d27 is the isotope analog of Tris(2-butyloxyethyl)phosphate. Tris(2-butyloxyethyl)phosphate,is an organophosphate, that can be used in the preparation of flame retardant, such as viscose fiber. References Wang, Y., et al.: Fangzhi Xuebao, 33, 16 (2012); Xiaoshan, L. et al.: Aquatic Toxicology, 114, 173 (2012);Formula:C18H12D27O7PColor and Shape:ColourlessMolecular weight:425.64Neohesperidin Dihydrochalcone-d3
CAS:Controlled ProductApplications Preparation from Naringen, a flavanone glycoside occurring naturally in grapefruit. It is used as sweetening agent, especially in chewing gum and dentifrices. References Inglett, et al.: J. Food Sci., 34, 101 (1969), Fisher, J.F., J. Agric. Food Chem., 25, 682 (1977), Pratter, P.J., Perfum. Flavor., 5, 12 (1981), Lina, B.A.R., et al.: Food Chem. Toxicol., 28, 507 (1990),Formula:C28H33D3O15Color and Shape:NeatMolecular weight:615.59Cyclohexane-d11
CAS:Formula:C6HD11Purity:98 atom % DColor and Shape:Colorless LiquidMolecular weight:95.16294N-Desmethyl Topotecan-d3 (>90%)
CAS:Controlled ProductApplications A labelled metabolite of Topotecan. References Herben, V., et al.: Anti-Cancer Drugs, 9, 411 (1998), Hsiang, Y., et al.: Cancer Res., 48, 1722 (1988), Hertzberg, R., et al.: J. Med. Chem., 32, 715 (1989), Beijnen, J., et al.: J. Pharm. Biomed. Anal., 8, 789 (1990),Formula:C22H18D3N3O5Purity:>90%Color and Shape:NeatMolecular weight:410.44(±)-Bupivacaine-d9 (butyl-d9)
CAS:Controlled ProductApplications (±)-Bupivacaine-d9 (butyl-d9) (CAS# 474668-57-0) is a useful isotopically labeled research compound.Formula:C182H9H19N2OColor and Shape:White To Off-WhiteMolecular weight:297.48DL-2-Aminobutyric-2,3,3,4,4,4-d6 Acid
CAS:Formula:CD3CD2CD(NH2)COOHPurity:98 atom % DColor and Shape:White SolidMolecular weight:109.10099Tolbutamide-d9
CAS:Controlled ProductFormula:C122H9H9N2O3SColor and Shape:White To Off-WhiteMolecular weight:279.40Boldenone-d3
CAS:Controlled ProductApplications Labelled Boldenone, an anabolic steroid. Controlled substance. References Watanabe, K., et al.: J. Appl. Bacteriol., 62, 151 (1987), Liu, W., et al.: J. Ind. Microbiol., 13, 167 (1994), Barthakur, S., et al.: J. Basic Microbiol., 36, 383 (1996), Grinenko, G., et al.: Pharmaceut. Chem. J., 36, 510 (2002), de Brabander, H., et al.: Food Addit. Contam., 21, 515 (2004),Formula:C19H23D3O2Color and Shape:WhiteMolecular weight:289.43Coumarin-d4
CAS:Controlled ProductApplications Labelled Coumarin (C755380). Pharmaceutic aid (flavor). Found in tonka beans, levender oil, woodruff, sweet clover. 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 Hazleton, L., et al.: J. Pharmacol. Exp. Ther., 118, 348 (1956), Lake, B., et al.: Food Chem. Toxicol., 37, 423 (1999), Frerot, E., et al.: Flavour Fragrance J., 17, 218 (2002), Yang, Z., et al.: Food Chem., 114, 289 (2009),Formula:C92H4H2O2Color and Shape:NeatMolecular weight:150.17L-Lysine-4,4,5,5-d4-bis-N-t-BOC
CAS:Formula:tBOCNHCH2(CD2)2CH2CH(NHtBOC)COOHPurity:98 atom % DColor and Shape:White SolidMolecular weight:350.454'-Chloroacetophenone-2',3',5',6'-d4
CAS:Formula:ClC6D4COCH3Purity:98 atom % DColor and Shape:Colorless LiquidMolecular weight:158.04365rac Desethyl Oxybutynin-d11 Hydrochloride
CAS:Controlled ProductFormula:C20D11H16NO3·HClColor and Shape:NeatMolecular weight:376.962-Bromopropane-d7
CAS:Controlled ProductApplications Labelled analogue of 2-Bromopropane, a short chain alkyl halide used in organic synthesis primarily as an alkylating agent for introducing the isopropyl functional groups. 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 Mayants, A.G. et al.: Zhur. Org. Khim., 25, 419 (1989); Miller, B. et al.: J. Org Chem., 30, 3895 (1965);Formula:C32H7BrColor and Shape:NeatMolecular weight:130.034'-Aminoacetanilide-2',3',5',6'-d4
CAS:Controlled ProductApplications 4'-Aminoacetanilide-2',3',5',6'-d4 (CAS# 1219802-76-2) is a useful isotopically labeled research compound.Formula:C8D4H6N2OColor and Shape:NeatMolecular weight:154.2Fluphenazine-d8 Dihydrochloride
CAS:Controlled ProductStability Hygroscopic Applications Antipsychotic. 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 Anderson, E.L., et al.: Arzneim.-Forsch., 12, 937 (1962), Dreyfuss, J., et al.: J. Pharm. Sci., 60, 826 (1971), Florey, K., et al.: Anal. Profiles Drug Subs., 2, 245 (1973).Formula:C22D8H18F3N3OS·2ClHColor and Shape:NeatMolecular weight:518.4927N-Nitroso-D,L-proline-d3
CAS:Controlled ProductApplications A labelled nitrosoamino acid with oncogenic activity. References Nagasawa, H.T., et al.: J. Med. Chem., 16, 583 (1973)Formula:C52H3H5N2O3Color and Shape:Off-WhiteMolecular weight:147.147Ethyl Octanoate-d15
CAS:Formula:CD3(CD2)6COOCH2CH3Purity:98 atom % DColor and Shape:Colorless LiquidMolecular weight:187.24048Aminopyrine (N,N-Dimethyl-13C2)
CAS:Controlled ProductApplications Aminopyrine (N,N-Dimethyl-13c2, 99%) Microbiological/Pyrogen Tested (cas# 60433-90-1) is a useful research chemical.Formula:C1113C2H17N3OColor and Shape:NeatMolecular weight:233.28N-Acetyl-DL-aspartic-2,3,3-d3Acid
CAS:Formula:HOOCCD2CD(NHCOCH3)COOHPurity:98 atom % DColor and Shape:White SolidMolecular weight:178.0669Tributyl O-Acetylcitrate-d3
CAS:Controlled ProductApplications Labelled Tributyl O-Acetylcitrate (T772950). Topical pharmaceutical formulation anesthetic surfactant ester. References Cherian., et al.: Br. J. Anaesthesia, 87, 502 (2001),Formula:C20D3H31O8Color and Shape:NeatMolecular weight:405.50Gamma-Cyclodextrin Deuterated
CAS:Controlled ProductApplications γ-Cyclodextrin Deuterated is a labelled version is γ-Cyclodextrin, which is used as nanomolecular encapsulation for drug delivery and pharmaceuticals. Used in the synthesis of unilamellar vesicles. References Ikeda, A. et al.: Chem. Comm., 50, 1288 (2014); Gudmundsdottir, B. et al.: J. Ocular Pharm. Ther., 30, 35 (2014);Formula:C48H80O40(Undeuterated)Color and Shape:NeatMolecular weight:1321.27Metalaxyl-d6
CAS:Controlled ProductApplications Labelled Metalaxyl (M258740). Agricultural fungicide. Phenylamide fungicide or use in food crops, shrubs and turf. References Boughalleb, N., et al.: Int. J. Agric. Res., 5, 1057 (2010), Lian, Y., et al.: J. Agric. Food Chem., 58, 9428 (2010),Formula:C15D6H15NO4Color and Shape:Off White SolidMolecular weight:285.3685Sodium Acetate-1,2-13C2
CAS:Controlled ProductFormula:C2H3NaO2Color and Shape:NeatMolecular weight:84.02n-Dodecyl Alcohol-OD(DodecylAlcohol-a)
CAS:Formula:CH3(CH2)11ODPurity:98 atom % DMolecular weight:187.20464p-Benzoquinone-d4
CAS:Controlled ProductApplications p-Benzoquinone-d4 is the labelled analogue of p-Benzoquinone (B206580) which is used as a catalyst in the preperation of allyl silyl ethers. p-Benzoquinone is a superoxide scavenger that has been used in the characterization of carnation-like SnS2 nanostructure photocatalysts for photodegredation. p-Benzoquinone is a toxic metabolite found in human blood. 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 Kinoshita, H., et. al.: Org. Lett., 15, 5538 (2013); Liu, H., et. al.: J. Mol. Catal. A-Chem., 288, 19221 (2013); Du, H., et. al.: Environ Sci. Technol., 47, 2823 (2013)Formula:C6D4O2Color and Shape:NeatMolecular weight:112.12N-Nitroso rac Bendroflumethiazide-D5
Controlled ProductFormula:C15D5H8F3N4O5S2Color and Shape:Light YellowMolecular weight:455.443L-4-Hydroxyphenylalanine-3,3-d2
CAS:Formula:HOC6H4CD2CH(NH2)COOHPurity:99 atom % DColor and Shape:White SolidMolecular weight:183.08645Scutellarein-d6 (major)(>90%)
CAS:Controlled ProductFormula:C15D6H4O6Purity:>90%Color and Shape:Dark YellowMolecular weight:292.273Cyclohexane-d12 (reagent grade(99% chemical purity)
CAS:Formula:C6D12Purity:99 atom % DColor and Shape:Colorless LiquidMolecular weight:96.16922Benzyl Butyl Phthalate-d4
CAS:Controlled ProductApplications Labelled Benzyl Butyl Phthalate (B233555). A phthalate metabolite with genotoxic effect. 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 Reyes, F., et al.: J. Clin. Endocrinol. Metab., 37, 74 (1973), Engel, S., et al.: Neurotoxicology, 30, 522 (2009),Formula:C192H4H16O4Color and Shape:ColourlessMolecular weight:316.38Formic-d1 Acid(95% w/w in H2O)
CAS:Formula:DCOOHH2OsolutionPurity:99 atom % DColor and Shape:Colorless Fuming LiquidMolecular weight:47.03rac-trans-Nicotine-1’-oxide-d3
CAS:Controlled ProductFormula:C10H11D3N2OColor and Shape:White To Light BeigeMolecular weight:181.25Quetiapine-d4 Fumarate
CAS:Controlled ProductFormula:C21D4H21N3O2S·C4H4O4Color and Shape:Off-WhiteMolecular weight:503.60391Glyburide-d3 (methoxy-d3)(non marqué 10238-21-8)
CAS:Purity:99 atom % DColor and Shape:White SolidMolecular weight:497.023-Nitrobenzoic-d4 Acid
CAS:Formula:O2NC6D4COOHPurity:98 atom % DColor and Shape:Pale Yellow SolidMolecular weight:171.04696Isobutyric-d6 Acid
CAS:Controlled ProductApplications Isobutyric-d6 Acid is the 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);Formula:C42H6H2O2Color and Shape:NeatMolecular weight:94.143-Hydroxy Bromazepam-d4
CAS:Controlled ProductApplications Major metabolite of labelled Bromazepam (B678502) References Musshoff, F., et al.: Clin. Chem. Lab. Med., 36, 803 (1998), El-Haj, B., et al.: J. Anal. Toxicol., 25, 316 (2001), Darzy, K., et al.: Clin. Endocrinol., 70, 287 (2009),Formula:C14H6D4BrN3O2Color and Shape:NeatMolecular weight:336.182-Mercaptoethanol-d6
CAS:Formula:DSCD2CD2ODPurity:98 atom % DColor and Shape:Colorless LiquidMolecular weight:84.0516Arecaidine-d5 Hydrobromide
CAS:Controlled ProductApplications A labelled metabolite of Arecoline, a cholinergic agonist. References Boyland, E., et al.: Biochem. J., 113, 123 (1969), Wenke, G., et al.: J. Cancer Res. Clin. Oncol., 108, 110 (1984), Winstock, A., et al.: Addict. Biol., 7, 133 (2002), Kulanthaivel, P., et al.: Drug Metab. Dispos., 32, 966 (2004), Hukkanen, J., et al.: Pharmacol. Rev., 57, 79(2005),Formula:C7H7D5BrNO2Color and Shape:NeatMolecular weight:227.11Sulfadiazine-d4 (benzene-d4)(
CAS:Purity:98 atom % DColor and Shape:White To Off White SolidMolecular weight:254.30N-Nitrosodiethylamine-d10 (1.0mg/ml in Methanol)
CAS:Controlled ProductFormula:C42H10N2OColor and Shape:ColourlessMolecular weight:112.20Colchicine-d3
CAS:Controlled ProductApplications An isotopically labelled antimitotic agent that disrupts microtubles by binding to tubulin and preventing its polymerization. Stimulates the intrinsic GTPase activity of tubulin. Induces apoptosis in several normal and tumor cell lines and activates the JNK/SAPK 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 Lunduena, R.F., et al.: Curr. Opin. Cell Biol., 4, 53 (1992), Ceccatelli, S., et al.: Neuroreport, 8, 3779 (1997), Want, T.H., et al.: J. Biol. Chem., 273, 4928 (1998), Andreu, J.M., et al.: Biochemistry, 37, 8356 (1998), Jordan, A., et al.: Med. Res. Rev., 18, 259 (1998),Formula:C222H3H22NO6Color and Shape:White To BrownMolecular weight:402.46Hydroxymethyl Tolperisone-d10 Hydrochloride
CAS:Controlled ProductApplications A labelled metabolite of Tolperisone (T535475). References Shiozawa, A., et al.: Eur. J. Med. Chem. Chim. Ther., 30, 85 (1995),Formula:C16H14D10ClNO2Color and Shape:NeatMolecular weight:307.88Arotinolol-D5 Hydrochloride
CAS:Controlled ProductStability Hygroscopic Applications Arotinolol-D5 Hydrochloride, is a labelled analogue of Arotinolol (A771500).Formula:C15H16D5N3O2S3·HClColor and Shape:NeatMolecular weight:413.03Trichloroethylene-d
CAS:Controlled ProductStability Volatile Applications Trichloroethylene-d (CAS# 13291-68-4) was useful in an isotope exchange column study to understand the slow desorption of organic compounds in soils and sediments. References Werth, C. J., et al.: ACS Division Environ. Chem., 37, 174 (1997)Formula:C2DCl3Color and Shape:ColourlessMolecular weight:132.39452,4-Dimethylaniline-d9
CAS:Controlled ProductApplications 4,6-Di(methyl-d3)benzen-2,3,5-d3-amine is a useful isotopically labeled research compound.Formula:C8H2D9NColor and Shape:NeatMolecular weight:130.242-Methoxy-17β-estradiol-1,4,16,16,17-d5
CAS:Purity:98 atom % DColor and Shape:White-Light Yellow SolidMolecular weight:307.44Propane-1,1,1,2,3,3,3-d7 (gaz)
CAS:Formula:CD3CHDCD3Purity:98 atom % DColor and Shape:Colorless GasMolecular weight:51.10654Dehydroepiandrosterone-16,16-d2
CAS:Controlled ProductPurity:97 atom % DColor and Shape:White SolidMolecular weight:290.44L-Citrulline-d6
CAS:Controlled ProductApplications Labelled L-Citrulline. An amino acid, first isolated from the juice of watermelon, Citrullus vulgaris Schrad., Cucurbitaceae. Used in the treatment of asthenia. References Kurtz, et al.: J. Biol. Chem., 122, 477 (1938), Rajantie, J., et al.: J. Pediatr., 97, 927 (1980), Carpenter, T.O., et al.: N. Engl. J. Med., 312, 290 (1985),Formula:C62H6H7N3O3Color and Shape:NeatMolecular weight:181.22p-Bromofluorobenzene-d4
CAS:Controlled ProductApplications p-Bromofluorobenzene-d4 is the isotope labelled analog of p-Bromofluorobenzene (B684545); a dihalogenated benzene used in the preparation of pharmaceutical compounds such as atypical antipsychotic agents. References Sunil K.I.V. et al.: Beil. J. Org. Chem., 7, 29 (2011); Li, W. et al.: Adv. Mat. Res., 236, 2594 (2011)Formula:C6D4BrFColor and Shape:NeatMolecular weight:179.024-Aminobutyric-2,2,3,3,4,4-d6Acid (non deutéré 56/12-2)
CAS:Formula:H2NCD2CD2CD2COOHPurity:99 atom % DColor and Shape:White SolidMolecular weight:109.100992-Ethylphenol-d10
CAS:Formula:CD3CD2C6D4ODPurity:99 atom % DColor and Shape:Colorless To Yellow LiquidMolecular weight:132.13593