Toxicology

Applications 4-(1,1-Dimethylpropyl)-β-methylbenzenepropanol 1-Methanesulfonate is a useful synthetic intermediate in the synthesis of Amorolfine Hydrochloride (A634170); a morpholine antifungal drug and topical solution for the treatment of toenail infections.
References Rotta, I., et al.: JAMA Dermatol., 149, 341 (2013); Espinel-Ingroff, A., et al.: Antimicrob. Agents Ch., 26, 5 (1984); Zhang, S., et al.: Faming Zhuanli Shenqing. CN 103288768 A 20130911. Sep 11, 2013

Stability Hygroscopic
Applications (±)-Mevalonolactone-4,4,5,5-d4 (CAS# 349553-98-6) is a useful isotopically labeled research compound.

Applications A novel labelled metabolite of Perchloroethene (PER) in humans after inhalation. It is an important biomarker for the glutathione dependent biotransformation of PER.
References Urban, G., et al.: Xenobiotica, 24, 881 (1994), Birner, G., et al.: Drug Metab. Dispos., 24, 41 (1996), Dekant, W., et al.: Drug Metab. Dispos., 15, 702 (1987),

Applications Fuberidazole is a benzimidazole based fungicide used as a fungicidal seed treatment of barley.
References Secci, D., et al.: J. Heterocyc. Chem., 49, 1187 (2012); Altmeye, M.A., et al.: Bioorg. Med. Chem. Lett., 20, 4038 (2010);

Applications (R,S)-Ethambutol is an isomer of Ethambutol (E889800), used as an antibacterial (tuberculostatic).
References Wilkinson, et al.: J. Med. Chem., 5, 835 (1962), Kulig, et al.: Diss. Pharm. Pharmacol., 23, 463 (1971), Lee, C.S., et al.: Anal. Profiles Drug Subs., 7, 231 (1978)

Applications 1-Oxo Fexofenadine Methyl Ester, is an intermediate in the preparation of Fexofenadine (F322470). It can also be used for the synthesis of an oxidation metabolite of Terfenadine (T114500),a H1-receptor antagonist.
References Garteiz, D.A., et al.: Arzneim.-Forsch., 32, 1185 (1982), Rampe, D., et al.: Mol. Pharmacol., 44, 1240 (1993), Obradovic, T., et al.: Pharm. Res., 24, 318 (2007); Kawai, S., et al.: J. Org. Chem., 59, 2620 (1994);

Applications (7R)-7-Amino Cefoxitin is an impurity of Cefoxitin (C243190). Cefoxitin is a semi-synthetic antibiotic derived from Cephamycin C, possessing high resistance to β-lactamase inactivation. An antibacterial.
References Wallick, H., et al.: Antimicrob. Agents Chemother., 5, 25 (1974), Brenner, G.S., et al.: Anal. Profiles Drug Subs., 11, 169 (1982),

Stability Light Sensitive
Applications 2,4,5-Trichloro-1,3-benzenedicarbonitrile is a degradation product of Chlorothalonil (C411250).
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 Bakke, J., et al.: Science, 210, 433 (1980), Aschbacher, P., et al.: Xenobiotica, 17, 1047 (1987), Chadwick, R., et al.: Drug Metab. Dispos., 24, 425 (1992), Wallin, A., et al.: Toxicol. Pathol., 21, 443 (1993),

Applications Silodosin Dimer 7-Cyano Benzoate is used in the process for preparation of considerably pure Silodosin. Silodosin (S465000) is an α1a-adrenoceptor antagonist. It is used in treatment of benign prostatic hypertrophy.
References Gangwar, K. S., et al.: PCT Int. Appl. 31 pp. (2016); Kawabe, K., et al.: BJU Int., 98, 1019 (2006);

Applications 2,2,5,5-Tetramethylthiazolidine-4-carbonyl Chloride Hydrochloride is an intermediate in the synthesis of D,L-Penicillamine O-Lactose Adduct (P223020), which is an impurity of D-Penicillamine (P223000), a Penicillin metabolite used in the treatment of Wilson’s disease, Cystinuria, Scleroderma and arsenic poisoning.
References Marti-Prats, L., et al.: Neurosci. Lett., 483, 143 (2010); Singh, A., et al.: J. Pharm. Sci., 99, 3931 (2010); Everette, J., et al.: J. Agric. Food Chem., 58, 8139 (2010);

Applications 2-Methylphenyl Diethylcarbamate is an intermediate in the synthesis of o-Cresol (C781910), which is a compound used as a disinfectant and have also been used as antiseptic in surgery.
References Razavi, S.M., et al.: Nat. Prod. Res., 26, 2148 (2012); Asadollahi-B. M., et al.: Environ. Toxicol. Pharmacol., 34, 826 (2012);

Applications 6β-Hydroxy Betamethasone can be used as analyte in analytical study for detecting betamethasone metabolites in human urine using liquid chromatography coupled to tandem mass spectrometry.
References Matabosch, X., et al.: Drug Testing and Analysis, 7, 663-672 (2015)

Impurity Duloxetine Phthalamide Impurity
Applications (S)-Duloxetine Phthalamide is an impurity of (S)-Duloxetine present with enteric polymer hydroxypropylmethylcellulose phthalate (HPMCP) in dosage formulations.
References Jansen, P.J., et al.: J. Pharmaceut. Sci., 87, 81 (1998),

Applications 2-(4-Chlorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-Cyclohexanedicarboxylic Acid Diethyl Ester, is a polysubstituted cyclohexanone derivative showing antifungal activity against Aspergillus niger and cytotoxic activity against monkey kidney VERO C1008 cell
References Palsule D., et al.: Int. J. Pharm, Res Bio.Sci., Vol.3, Iss.4, P 14-31 (2014)

Applications (6R,7S)-Cefoperazone Sodium Salt is the enantiomer of Cefoperazone (C242900) as an impurity.
References Fabre, H., et al.: J. Pharm. Sci., 73, 611 (1984), Strasters, J., et al.: Anal. Chem., 63, 2503 (1991), Chen, Z., et al.: World Notes Antibiot., 25, 249 (2004),

Applications Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir is an intermediate for the synthesis of Atazanavir (A790051) and the preparation of some peptide analogs.
References Martin, J., et al.: Prog. Med. Chem., 32, 239 (1995), Jadhav, P., et al.: J. Med. Chem., 40, 181 (1997), Bold, G., et al.: J. Med. Chem., 41, 3387 (1998);

Applications Mycophenolic Acid Monosodium Salt in its enteric-coated form is used as an immunosuppressive agent in organ transplantation and autoimmune diseases.Environmental contaminants; Food contaminants
References Zhang, W., et al.: Int. J. Clin. Pract., 68, 12399/1-3 (2014)

Applications Cyclacillin is an aminosalicylic semisynthetic penicillin; Antibiotic.
References Scheld, W.M., et. al.: Antimicrob. Agents CH., 30, 350 (1986)

Applications 2-Hydroxy-2,3-tetrahydrofuranyl Entecavir is an impurity of Entecavir (E558900).

Applications A metabolite of Phenobarbital (P316760).
References Soine, W.H., et al.: Drug Metab. Dispos., 12, 792 (1984), Soine, W.H., et al.: J. Pharmac. Sci., 80, 99 (1991),

Applications rac cis-Paroxetine N-Methyl is an impurity formed in the synthesis Paroxetine (P205750) related compounds.
References Gangula, S., et al.: Syn. Commun., 42, 3344 (2012);

Applications A labelled metabolite of Moxifloxacin (M745000).
References Steinijans, V., et al.: J. Clin. Pharmacol. Ther., 29, 323 (1991), Haria, M., et al.: Drugs, 51, 585 (1996), Pickerill, K., et al.: Pharmacotherapy, 20, 417(2000),

Applications Epoxy Metradiene is an impurity from synthesis of Fluorometholone (F593145),a glucocorticoid; anti-inflammatory.
References Kupferman, A., et al.: Arch. Ophthlmol., 640, 100 (1982); Tokunaga H., et al.: Chem. Pharm. Bull., 32, 4012 (1984);

Applications Triphenyltin Hydroxide is an organotin compound. Triphenyltin Hydroxide is used as a fungicide and antifeeding compound for insect control (1,2). Recent studies show that Triphenyltin Hydroxide may have adverse effects on the reproductive and immune systems and may disrupt the endocrine system (3). 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. Sarpa M. et al.: J. Toxicol. Environ. Health. A. 2010;73(13-14):965-712. Soderquist, J. et al.: J. Agric. Food. Chem. Jan:28(1);111-1173. Golub, M. et al.: J. Toxicol. Environ. Health B. Crit. Rev. 2004 Jul-Aug;7(4):281-95

Applications 4-Fluorobenzonitrile-d4 is the labelled version of fluorobenzonitrile, a compound with industrial applications from solar cells to medicinal application as an anti-inflammatory.
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 Heilman, W.P. et al.: J. Med. Chem., 21, 906 (1978); Woo, S. et al.: J. Nano. Opto., 6, 338 (2011);

Applications Methylamine-d5 DCl (CAS# 14779-55-6) is a useful isotopically labeled research compound.
Chemical Name: Methylamine-d5 DCl (CAS# 14779-55-6) is a useful isotopically labeled research compound.

Applications L-Propoxyphene-d5 Hydrochloride is the isotope labelled analog and L-isomer of Propoxyphene Hydrochloride (P831500); a controlled substance (opiate) and analgesic (narcotic). The α-DL-and D-diastereoisomers possess marked analgesic activity in contrast to the β-diastereoisomers which are substantially inactive. Oral administration of L-Propoxyphene Hydrochloride enhances the analgesic activity of D-Propoxyphene Hydrochloride.
References Goldenthal, E.I., et al.: Toxicol. Appl. Pharmacol., 18, 185 (1971); McEwan, B., et al.: Anal. Profiles Drug Subs., 1, 301 (1972); Murphy, P.J., et al.: J. Pharmacol. Exp. Ther., 199, 415 (1976)

Applications 2-Amino-4'-bromoacetophenone Hydrochloride is used as a reagent in the synthesis of Ledipasvir (L320100); a potent, once-daily oral NS5A inhibitor used for treatment of hepatitis C virus infection. 2-Amino-4'-bromoacetophenone Hydrochloride is also used in the preparation of the β-receptor agonists (-)-Denopamine (D231485) and (-)-Arbutamine (A766300).
References Link, J.O., et al.: J. Med. Chem., 57, 2033 (2014); Shang, G., et al.: Chem-Eur. J., 13, 7780 (2007)

Applications (R)-Benzylphenobarbital is a derivative of Phenobarbital (P316760), which is an Anticonvulsant; sedative; hypnotic.
References Goldenthal, E.I., et al.: Toxicol. Appl. Pharmacol., 18, 185 (1971), Chao, M.K.C., et al.: Anal. Profiles Drug Subs., 7, 359 (1978),

Applications An intermediate used in the preparation of Zanamivir derivatives.
References Andrews, D., et al.: Eur. J. Med. Chem., 34, 563 (1999), Altamore, T., et al.: Bioorg. Med. Chem., 14, 1126 (2006),

Applications (3aS,4S,6R,6aR)-6-(N-Boc-amino)-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole-4-carboxylic Acid Methyl Ester is an impurity of Peramivir (P285500), a neuraminidase inhibitor used as an antiviral agent for treating influenza. (3aS,4S,6R,6aR)-6-(N-Boc-amino)-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole-4-carboxylic Acid Methyl Ester is also a regioisomer of (3aR,4R,6S,6aS)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole-6-carboxylic Acid Methyl Ester (D472890).
References Whitley, R., et al.: Pediatr. Infect. Dis. J., 20, 127 (2001); Bright, R., et al.: Lancet., 366, 1175 (2005); Deyde, V., et al.: J. Infect. Dis., 196, 249 (2007); Lee, N., et al.: Clin. Infect. Dis., 46, 1323 (2008)

Applications Δ6-Gestodene, is an impurity of Gestodene (G368250), an orally active gestogen with progesterone-like profile of activity. Used in combination with estrogen as oral contraceptive.
References Duesterberg, B., et al.: Contraception, 24, 673 (1981); Duesterberg, B., et al.: Seroids, 43, 43 (1984); Losert, W., et al.: Arzneim.-Forsch., 35, 459 (1985);

Applications Stavudine 5-O-β-Glucuronide is the O-glucuronide derivative of Stavudine (S685250); a reverse transcriptase inhibitor and antiviral.
References Mansuri, M.M., et al.: Antimicrob. Ag. Chemother., 34, 637 (1990); Cretton, E.M., et al.: Antimicrob. Ag. Chemother., 37, 1816 (1993); Browne, M.J., et al.: J. Infec. Dis., 167, 21 (1993)

Applications Triclosan (3',5',6'-d3) O-β-D-Glucuronide Sodium Salt is an isotope labelled compound of Triclosan O-β-D-Glucuronide Sodium Salt (T774260), a metabolite of Triclosan (T774250).
References Moss, T. et al.: Food Chem. Toxicol., 38, 361 (2000); Wu, J. et al.: Sepu, 27, 724 (2009);

Applications A metabolite of Eplerenone. Used in combination therapy for treatment of cardiovascular disorders.
References Staessen, J., et al.: J. Endocrinol., 91, 457 (1981), de Gasparo, M., et al.: J. Pharmacol. Exp. Ther., 240, 650 (1987), MacFadyen, R., et al.: Cardiovasc. Res., 35, 30 (1997),