
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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1,2,3-Trichlorobenzene-d3
CAS:Formula:C6D3Cl3Purity:98 atom % DColor and Shape:White-Pale Yellow SolidMolecular weight:182.94886Dichloroacetic Acid-d2
CAS:Formula:Cl2CDCOODPurity:98 atom % DColor and Shape:Colourless-Pale Yellow LiquidMolecular weight:129.95574N-Acetyl-S-(3,4-dimethylbenzene)-L-cysteine-d3
CAS:Controlled ProductApplications N-Acetyl-S-(3,4-dimethylbenzene)-L-cysteine-d3 (cas# 1331892-61-5) is a compound useful in organic synthesis. References Gonzalez-Reche, L., et al.: Arch. Toxicol., 77, 80 (2003),Formula:C13H14D3NO3SColor and Shape:NeatMolecular weight:270.36Bis(2-methoxyethyl) Phthalate-3,4,5,6-d4
CAS:Formula:C6D4(COOCH2CH2OCH3)2Purity:99 atom % DColor and Shape:Colorless LiquidMolecular weight:286.13545Flocoumafen-d4
CAS:Controlled ProductApplications Isotope labelled Flocoumafen is a second generation anticoagulant rodenticide. Flocoumafen is extremely effective against strains of pest rodents resistant to conventional anticoagulants. Flocoumafen is highly toxic and is used strictly in sewers and indoors in some places such as UK. 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 Bowler, D.J. et al.: Br. Crop Prot. Conf. Pests Dis. Proc., 2, 397 (1984); Rowe, F.P. et al.: J. Hygiene, 95, 623 (1985); Vandenbroucke, V. et al.: J. Vet. Pharmacol. Therap., 31, 437 (2008);Formula:C33H21D4F3O4Color and Shape:NeatMolecular weight:546.57Flupyradifurone-d5 (Major)
CAS:Controlled ProductApplications Flupyradifurone (F598615), the unlabelled version of Flupyradifurone-d5, can be used as an insecticide. References Anon, IP.com J., 12, 19 (2011)Formula:C12H6D5ClF2N2O2Color and Shape:Off-White To BeigeMolecular weight:293.713-Aminopropane-d6-sulfonicAcid
CAS:Formula:H2NCD2CD2CD2SO3HPurity:98 atom % DColor and Shape:White Solid.Molecular weight:145.06797N-tert-Butyl-d9-phenyl-d5-nitrone
CAS:Formula:(CD3)3CN(O)CHC6D5Purity:98 atom % DColor and Shape:White - Pale Yellow SolidMolecular weight:191.20324(+/-)-2-Methylbutyryl-d9Chloride
CAS:Formula:CD3CD2CD(CD3)COClPurity:98 atom % DColor and Shape:Colorless LiquidMolecular weight:129.09068Mabuterol-d9
CAS:Controlled ProductStability Hygroscopic Applications a β2-adrenergic agonist, used as a bronchodilator/antiasthmatic 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 Murali, S., et al.; Eur. J. Med. Chem., 42, 966 (2007), Nielen, M., et al.: Anal. Bioanal. Chem. 391, 199 (2008), Shao, B., et al.: Food Chem., 114, 1115 (2009),Formula:C132H9H9ClF3N2OColor and Shape:Light Yellow To OrangeMolecular weight:319.80N-Acetyl-L-methionine-d3(s-methyl-d3)
CAS:Formula:CD3SCH2CH2CH(NHCOCH3)COOHPurity:99 atom % DMolecular weight:194.08044Benzyl-α,α-d2 Bromide
CAS:Formula:C6H5CD2BrPurity:98 atom % DColor and Shape:Colorless-Pale Yellow LiquidMolecular weight:171.98567Fenbutatin Oxide-d30
CAS:Controlled ProductApplications Labelled analogue of Fenbutatin Oxide, an organotin pesticide. Fenbutatin Oxide is widely used as an aracacide in the control of mites, in particular spider mites. 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 Ishaaya, I. et al.: Pest. Biochem. Physiol., 6, 270 (1976); Inglesfield, C.: Bull. Environ. Contam. Toxicol., 38, 813 (1987); Riedl, H. et al.: Exp. Appl. Acarol., 11, 149 (1991);Formula:C60H48D30OSn2Color and Shape:NeatMolecular weight:1082.872,4,5-Trichlorophenoxy-3,6-d2-acetic-d2 Acid(=2,4,5-T d4)
CAS:Purity:99 atom % DColor and Shape:White SolidMolecular weight:259.51Benzaldehyde-(carbonyl-13C)
CAS:Controlled ProductApplications Benzaldehyde-(carbonyl-13C) is the (carbonyl-13C) labelled analogue of Benzaldehyde (B119740) which is mainly used as a precursor to other organic compounds, such as pharmaceuticals, and plastic additives. It is also the primary component of bitter almond oil and can be extracted from a number of other natural sources, and thus can be used for the almond flavor. 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 Pino, J.A, et al.: Food Chemistry, 141, 795 (2013); Peng, T. et al.: Tianran Chanwu Yanjiu Yu Kaifa, 24, 342 (2012);Formula:C613CH6OColor and Shape:NeatMolecular weight:107.112-Methoxyestrone-1,4,16,16-d4
CAS:Purity:99 atom % DColor and Shape:White SolidMolecular weight:304.42Dydrogesterone-d6 (Major)
CAS:Controlled ProductApplications Labelled Dydrogesterone. A synthetic progestin largely used in hormone therapy, on the central nervous system by studying two markers of the neuroendocrine function: the neurosteroid allopregnanolone and the opioid .beta.-endorphin. Progestogen. References Bernardi, F., et al.: Eur. J. Endocrinol., 138, 316 (1998), Rupprecht, R., et al.: Steroids, 64, 83 (1999), Uzunova, V., et al.: Brain Res., 976, 1 (2003), Pluchino, N., et al.: J. Steroid Biochem. Mol. Biol., 102, 205 (2006),Formula:C21H22D6O2Color and Shape:NeatMolecular weight:318.48N-Acetyl-S-benzyl-d5-L-cysteine
CAS:Controlled ProductApplications N-Acetyl-S-benzyl-d5-L-cysteine is deuterium labelled N-Acetyl-S-benzyl-L-cysteine, which is a metabolite of toluene. References Gargas, M., et al.: Toxicol. Appl. Pharmacol., 98, 87 (1989), Commandeur, J., et al.: Pharmacol. Rev., 47(2), 271 (1995), Campo, P., et al.: Neurotoxicol. Teratol., 21, 427 (1999), Lohse, C., et al.: J. Agr. Food Chem., 48, 5913 (2000),Formula:C12D5H10NO3SColor and Shape:NeatMolecular weight:258.35Glyphosate-13C,15N
CAS:Applications Glyphosate-13C,15N is an isotopic analog of Glyphosate (G765000) which is used as a herbicide. References Davis, V., et al.: Weed Sci., 57, 494 (2009), Bellaloui, N., et al.: J. Agric. Food Chem., 57, 9050 (2009),Formula:CC2H815NO5PColor and Shape:Off WhiteMolecular weight:171.06Deethylterbutryne-d9
CAS:Controlled ProductApplications Deethylterbutryne-d9 is the deuterium labelled form of Deethylterbutryne (D228585), which is a pollutant and degradation product of herbicide Irgarol (I764100). References Konstantinou, I., et al.: Environ. Sci. Technol., 35, 398 (2001); Thomas, K., et al.: Sci. Total Environ., 293, 117 (2002); Hollender, J., et al.: Environ. Sci. Technol., 43, 7862 (2009);Formula:C8H6D9N5SColor and Shape:NeatMolecular weight:222.36Dihydro Ergotamine-13C,d3 Mesylate
CAS:Controlled ProductStability Hygroscopic Applications A labelled α-androgenic blocker with selective venoconstrictor properties. Also binds to serotonin 5HT1-receptors. Antimigraine. References de Marees, et al.: Eur. J. Clin. Pharmacol., 30, 685 (1986), McCarthy, B.G., et al.: Headache, 29, 420 (1989), Ziegler, D., et al.: Neurology, 44, 447 (1994),Formula:C33CH38D3N5O8SColor and Shape:White To Off-WhiteMolecular weight:683.79Phosphorylcholine-d9 Chloride, Calcium Salt (N,N,N-trimethyl-d9)
CAS:Controlled ProductFormula:C5H4D9CaClNO4PBilastine-d6
CAS:Controlled ProductApplications Labelled Bilastine. It is a novel, nonsedating H1-antihistamine developed for symptomatic treatment of allergic rhinitis and chronic idiopathic urticaria. References Van Cauwenberge, P., et al.: Clin. Exp. Allergy, 30, 891 (2000), Bauchau, V., et al.: Eur. Respir. J., 24, 758 (2004), Lehman, J., et al.: Drugs, 66, 2309 (2006),Formula:C28H31D6N3O3Color and Shape:White To Light BrownMolecular weight:469.65Methyl Viologen-d8 Dichloride(rings-d8)(=Paraquat Dichloride)
CAS:Purity:98 atom % DColor and Shape:White - Yellow SolidMolecular weight:265.21Losartan-d4
CAS:Controlled ProductApplications A labelled version of Losartan, a nonpeptide angiotensin II AT1-receptor antagonist. Antihypertensive. References Chiu, T.A., et al.: J. Pharmacol. Exp. Ther., 252, 711 (1990), McIntyre, M., et al.: Pharmacol. Ther., 74, 181 (1997), Pitt, B., et al.: Lancet, 355, 1582 (2000)Formula:C222H4H19ClN6OColor and Shape:White To Off-WhiteMolecular weight:426.94D-4-Hydroxyphenyl-d4-alanine-2,3,3-d3
CAS:Formula:HOC6D4CD2CD(NH2)COOHPurity:98 atom % DColor and Shape:White SolidMolecular weight:188.11783Formoterol-d6 Fumarate
CAS:Controlled ProductStability Hygroscopic Applications Formoterol-d6 Fumarate is the labeled analogue of Formoterol Fumarate (F693401), an impurity of Formoterol fumarate dihydrate (F693400), a selective β2-adrenergic receptor agonist. Formoterol is used as an antiasthmatic. References Yoshida, T., et al.: Pharmacometrics, 26, 811 (1983); Bartow, R.A., et al.: Drugs, 55, 303 (1998)Formula:C42H40D12N4O12Color and Shape:White To Light BeigeMolecular weight:816.96Uridine-5,6-d2
CAS:Controlled ProductApplications Labelled Uridine, a nucleoside; widely distributed in nature. Uridine is one of the four basic components of ribonucleic acid (RNA). References Lorine, P., et al.: J. Biol. Chem., 178, 439 (1949), Grakoui, A., et al.: J. Virol., 63, 5216 (1989),; Strauss, J., et al.: Microbiol. Rev., 58, 491 (1994), Lin, Y., et al.: Virology, 292, 78 (2002);Formula:C92H2H10N2O6Color and Shape:NeatMolecular weight:246.21Glyceryl Trihexadecanoate-13C2[1,3-Di(hexadecanoate-1-13C)]
CAS:Purity:99 atom % 13CColor and Shape:Colorless SolidMolecular weight:809.34Omeprazole-d3 Sulfide
CAS:Controlled ProductFormula:C172H3H16N3O2SColor and Shape:NeatMolecular weight:332.44Docosanoic-22,22,22-d3 Acid
CAS:Formula:CD3(CH2)20COOHPurity:98 atom % DColor and Shape:White SolidMolecular weight:343.35296Triclosan-d3
CAS:Controlled ProductApplications Isotope labelled Triclosan is used as bactericide and preservative for cosmetic and detergent compositions (1). Broadly used as an antiseptic and disinfectant (2). This compound is a contaminant of emerging concern (CECs). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA). Environmental contaminants; 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. Lindström, A. et al.: Environ. Sci. Technol. 2002 Jun 1;36(11):2322-9. 2. Ruszkiewicz, J. et al.: J. Toxicol. Environ. Health B. Crit. Rev. 2017;20(2):104-117.Formula:C122H3H4Cl3O2Color and Shape:Off-White To Light YellowMolecular weight:292.56Uridine Diphosphate-Alpha-D-galactose Disodium Salt-13C6
CAS:Controlled ProductApplications Uridine Diphosphate-α-D-[UL-13C6]galactose Disodium Salt is a labelled synthetic glycan that is used in drug innovation and discovery. References Matsushita, T. et al.: J. Am. Chem. Soc., 132, 16651 (2010);Formula:C9C6H22N2Na2O17P2Color and Shape:NeatMolecular weight:616.22Tolmetin-d3
CAS:Controlled ProductApplications Anti-inflammatory. References Carson, et al.: J. Med. Chem., 14, 646 (1971), Wong, S., et al.: J. Pharmacol. Exp. Ther., 185, 127 (1973), Brogden, R.N., et al.: Drugs, 15, 429 (1978).Formula:C15D3H12NO3Color and Shape:NeatMolecular weight:260.303Hexadecanoic-2,2-d2 Acid
CAS:Formula:CH3(CH2)13CD2COOHPurity:98 atom % DColor and Shape:Colorless SolidMolecular weight:258.25278(±)-Ibuprofen-d3, Sodium Salt(α-methyl-d3)
CAS:Purity:99 atom % DColor and Shape:White SolidMolecular weight:231.28N-2-Methylpropionyl-d7-glycine(N-Isobutyrylglycine)
CAS:Formula:(CH3)2CHCONHCD2COOHPurity:98 atom % DColor and Shape:White SolidMolecular weight:147.08645Isonicotinamide-d4
CAS:Controlled ProductApplications Labelled Isonicotinamide is an isomeric analogue of nicotinamide and a metabolite of isonicotinic thioamide. Isonicotinamide strongly inducde apoptosis in human acute myelomonocytic leukemia cells, HL-60. References Taguchi, H.: Furi Rajik. Rin., 14, 23 (1999); Golovinski, E. et al.: Comp. Rend. Acad. Bulg. Sci., 21, 375 (1968);Formula:C62H4H2N2OColor and Shape:White To Off-WhiteMolecular weight:126.15Z,Z-Dienestrol-d6
CAS:Controlled ProductApplications A labelled metabolite of Diethylstilbestrol. References Liehr, J.G., et al.: Steroids, 40, 713 (1982),Formula:C18H12D6O2Color and Shape:Off-White To Light BrownMolecular weight:272.373-Chlorotoluene-d7
CAS:Formula:ClC6D4CD3Purity:98 atom % DColor and Shape:Colorless LiquidMolecular weight:133.067579-cis-Retinol-d5
CAS:Controlled ProductStability Light Sensitive, Temperature Sensitive Applications 9-cis-Retinol-d5, is the labeled analogue of 9-cis-Retinol (R252095), a metabolite of Vitamin A. References McCormick, A., et al.: J. Biol. Chem., 257(4), 1730 (1982), Buck, J., et al.: Science, 254, 1654 (1991), Napoli, J., et al.: Chem. Immunol. Immunopathol., 80, S52 (1996),Formula:C20H25D5OColor and Shape:NeatMolecular weight:291.48DL-Glutamic Acid-d5
CAS:Controlled ProductApplications DL-Glutamic Acid-d5 is the isotope labelled analog of DL-Glutamic Acid. Glutamic Acid is non-essential amino acid. Its salt form (glutamate) is an important neurotransmitter that plays a key role in long-term potentiation and is important for learning and memory. Glutamic Acid is also a key molecule in cellular metabolism. References McEntee, W. et al.: Psychopharmacology, 111, 391 (1993); Manev, H. et al.: Mol. Pharmacol., 36, 106 (1989);Formula:C5D5H4NO4Color and Shape:NeatMolecular weight:152.162-Bromo-2-methylpropane-d9
CAS:Formula:(CD3)3CBrPurity:98 atom % DColor and Shape:Colourless LiquidMolecular weight:145.04525n-Tridecyl-d27 Alcohol
CAS:Formula:CD3(CD2)12OHPurity:98 atom % DColor and Shape:White SolidMolecular weight:227.38349Penicillin G-D7 N-Ethylpiperidinium Salt
CAS:Controlled ProductFormula:C162H7H11N2O4S·C7H15NColor and Shape:White To Off-WhiteMolecular weight:454.634Lactose -13C12
CAS:Applications Labelled Lactose Monohydrate (L114000), which is used in the synthesis of casing for various methods of oral drug delivery, including dissolving pellets, and long-lasting pellets. References Kamble, M. et al.: Int. J. Pharm. Chem. Biol. Sci., 3, 55 (2013); Hiorth, M. et al.: Int. J. Pharm., 441, 544 (2013);Formula:C12H22O11Color and Shape:White To Off-WhiteMolecular weight:354.208(±)-Diethyl-d10-propion HCl
CAS:Controlled ProductPurity:99 atom % DColor and Shape:White SolidMolecular weight:251.822-Butoxylethanol-1,1,2,2-d4
CAS:Formula:CH3CH2CH2CH2OCD2CD2OHPurity:99 atom % DColor and Shape:Colorless LiquidMolecular weight:122.12449Ethyl-1,1-d2 Alcohol
CAS:Formula:CH3CD2OHPurity:98 atom % DColor and Shape:Colorless Liquid. Burning TasteMolecular weight:48.05442N-(Carboxymethyl)-N,N,N-trimethyl-d3-ammonium Chloride (N-methyl-d3)
CAS:Controlled ProductFormula:C52H3H9NO2·ClS-Methyl Ergothioneine-d3
Controlled ProductFormula:C10D3H14N3O2SColor and Shape:NeatMolecular weight:246.344n-Butyl-d9 4-Aminobenzoate
Formula:H2NC6H4COOCD2CD2CD2CD3Purity:99 atom % DMolecular weight:202.166774-Hydroxy Estrone-d4
CAS:Controlled ProductApplications A labelled metabolite of Estradiol. References Fishman, H.G, et al.: Biochemistry, 8, 4304 (1969), Ryan, Sugar, J., et al.: J. Clin. Endocrinol. Metab., 50, 137 (1980), Numazawa, M., et al.: Steroids, 38, 149 (1981), Travis, R., et al.: Breast Cancer Res., 5, 239 (2003),Formula:C182H4H18O3Color and Shape:NeatMolecular weight:290.39Clobetasol 17-Propionate-d5
CAS:Controlled ProductApplications Clobetasol 17-Propionate-d5 is labelled Clobetasol 17-Propionate (C583500) which is a topical corticosteroid. Clobetasol 17-Propionate (C583500) is anti-inflammatory. References Olsen, E.A., et al.: J. Am. Acad. Dermatol., 15, 246 (1986),Formula:C25H27D5ClFO5Color and Shape:NeatMolecular weight:472.0Methane-d2 (gaz)
CAS:Formula:CH2D2Purity:97 atom % DColor and Shape:Colorless GasMolecular weight:18.04385N,N-Dimethylformamide-d7
CAS:Controlled ProductApplications N,N-Dimethylformamide-d7 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);Formula:C32H7NOColor and Shape:ColourlessMolecular weight:80.14Celecoxib-d7
CAS:Controlled ProductApplications Celecoxib-d7 is the labeled analogue of Celecoxib (C251000), a selective cyclooxygenase-2 (COX-2) inhibitor. Anti-inflammatory. Used in treatment of familial adenomatous polyposis. 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 Simon, L.S., et al.: Arthritis Rheum., 41, 1591 (1998); Silverstein, F.E., et al.: J. Am. Med. Assoc., 284, 1247 (2000); Steinbach, G., et al.: N. Engl. J. Med., 342, 1946 (2000)Formula:C17D7H7F3N3O2SColor and Shape:WhiteMolecular weight:388.42Ethylene Terephthalate Cyclic Trimer-d12
CAS:Controlled ProductFormula:C30H12D12O12Color and Shape:White To Light YellowMolecular weight:588.583-Fluorotoluene-α-d1
CAS:Formula:CH2DC6H4FPurity:98 atom % DColor and Shape:Colorless To Yellow LiquidMolecular weight:111.05946Phenylglyoxylic Acid-13C8
CAS:Applications Phenylglyoxylic Acid-13C8 is an intermediate used in the synthesis of Mandelic Acid-13C8 (M162523), which is the C13 labelled Mandelic Acid which is used as an antiseptic (urinary). It is also used as a short-term exposure biomarker in urine from styrene exposed workers. References Pessela, B., et al.: Enzyme Microb. Technol., 40, 310 (2007); Carrasco-Lopez, C., et al.: J. Biol. Chem., 284, 4365 (2009); Fustinoni, S., et al.: Toxicol. Lett., 192, 40 (2010)Formula:C8H6O3Color and Shape:NeatMolecular weight:158.07