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NICEATM ECVAM 3T3NRU CITOTOXICITY: Reference chemicals used in the NICEATM/ECVAM validation study of the Neutral Red Uptake (NRU) basal cytotoxicity assay The NICEATM/ECVAM Validation Study of the Neutral Red Uptake (NRU) basal cytotoxicity assay assessed the accuracy of the standardised in vitro cytotoxicity test methods for estimating rodent oral LD50 values across the five United Nations Globally Harmonized System of Classification and Labelling of Chemicals categories of acute oral systemic toxicity, as well as unclassified toxicities. 72 chemicals were tested in three laboratories using two standard cell systems: a human cell system (normal human keratinocytes, NHK) and a rodent fibroblast cell line (BALB/3T3). 1 (72 chemicals) download NICEATM ECVAM 3T3NRU CITOTOXICITY excel file 
CASEINECSJRC CODEChemical NameSMILES
151-50-8205-792-3JRC-000083Potassium Cyanide (K(CN))[K]C#N
152-11-4205-800-5JRC-000053(±)-Verapamil Hydrochloridec1([C@@](CCC[N@@](CCc2cc(c(OC)cc2)OC)C)(C(C)C)C#N)cc(c(OC)cc1)OC.Cl
20830-75-5244-068-1JRC-000010DigoxinC[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46|
51-42-3200-097-1JRC-000098Epinephrine Hydrogen TartrateO[C@H]([C@@H](O)C(O)=O)C(O)=O.CNC[C@H](O)C1=CC(O)=C(O)C=C1
54-62-6200-209-9JRC-000237AminopterinNc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
62-73-7200-547-7JRC-000072DichlorvosCOP(=O)(OC)OC=C(Cl)Cl
75-05-8200-835-2JRC-000097AcetonitrileCC#N
7681-49-4231-667-8JRC-000074Sodium FluorideF[Na]
7681-52-9231-668-3JRC-000253Sodium Hypochlorite[Na+].[O-]Cl
99-66-1202-777-3JRC-000099Valproic AcidC(CCC)(CCC)C(O)=O
10108-64-2233-296-7JRC-000066Cadmium Chloride[Cd](Cl)Cl
13410-01-0236-501-8JRC-000096Sodium selenate[O-][Se](=O)(=O)[O-].[Na+].[Na+]
298-04-4206-054-3JRC-000243DisulfotonCCOP(=S)(OCC)SCCSCC
51-18-3200-083-5JRC-000256TriethylenemelamineC1CN1c1nc(nc(n1)N1CC1)N1CC1
55-98-1200-250-2JRC-000239BusulfanC[S](=O)(=O)OCCCCO[S](C)(=O)=O
67-56-1200-659-6JRC-000019MethanolOC
77-21-4201-012-0JRC-000094GlutethimideCCC1(CCC(=O)NC1=O)C1=CC=CC=C1
7758-99-8616-477-9JRC-000258Cupric SulfateO1S(=O)(=O)O[Cu]1
84-74-2201-557-4JRC-000189Dibutyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC
107-21-1203-473-3JRC-000079Ethylene glycolOCCO
1330-20-7215-535-7JRC-000082Xylenec1(ccccc1)C.C*
298-46-4206-062-7JRC-000006CarbazepineNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
56-81-5200-289-5JRC-000076GlycerolOCC(O)CO
57-47-6200-332-8JRC-000073Physostigmine[H][C@]12N(C)CC[C@@]1(C)C1=CC(OC(=O)NC)=CC=C1N2C
62-76-0200-550-3JRC-000254Sodium oxalate[Na]OC(=O)C(=O)O[Na]
64-86-8200-598-5JRC-000007ColchicineCOC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1
71-55-6200-756-3JRC-0002351,1,1-TrichloroethaneCC(Cl)(Cl)Cl
10043-35-3233-139-2JRC-000238Boric AcidOB(O)O
103-85-5203-151-2JRC-000249Phenyl-2-ThioureaNC(=S)Nc1ccccc1
103-90-2203-157-5JRC-000002Acetaminophenc1(ccc(cc1)O)NC(=O)C
108-95-2203-632-7JRC-000080PhenolOc(cccc1)c1
1327-53-3215-481-4JRC-000086Arsenic Oxide (As2O3)-
50-06-6200-007-0JRC-000015PhenobarbitalCCC1(C(=O)NC(=O)NC1(=O))c2ccccc2
5908-99-6611-792-8JRC-000004Atropine Sulfate MonohydrateC1[C@@H](C[C@@H]2CC[C@@H]1N2C)OC([C@@H](c1ccccc1)CO)=O.OS(=O)(O)=O.C1[C@@H](C[C@@H]2CC[C@@H]1N2C)OC([C@@H](c1ccccc1)CO)=O.O
66-81-9200-636-0JRC-000008Cicloheximide[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
67-63-0200-661-7JRC-0000112-PropanolOC(C)C
70-30-4200-733-8JRC-000088HexachloropheneOC1=C(Cl)C=C(Cl)C(Cl)=C1CC1=C(Cl)C(Cl)=CC(Cl)=C1O
76-87-9200-990-6JRC-000241Triphenyltin hydroxideO[Sn](c1ccccc1)(c2ccccc2)c3ccccc3
115-29-7204-079-4JRC-000244EndosulphanClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl |c:1|
1910-42-5217-615-7JRC-000075Paraquat Dichloridec1(c2cc[n+](C)cc2)cc[n+](C)cc1.[ClH-].[ClH-]
50-21-5200-018-0JRC-000247Lactic AcidC([C@@H](C)O)(O)=O
50-78-2200-064-1JRC-000003Acetylsalicylic AcidO=C(Oc(c(ccc1)C(=O)O)c1)C
549-18-8208-964-6JRC-000078Amitriptyline HydrochlorideCl.CN(C)CC\C=C1/c2ccccc2CCc3ccccc13
56-23-5200-262-8JRC-000257Carbon TetrachlorideClC(Cl)(Cl)Cl
56-38-2200-271-7JRC-000071ParathionCCO[P](=S)(OCC)OC1=CC=C(C=C1)[N](=O)=O
64-17-5200-578-6JRC-000070EthanolC(C)O
7447-40-7231-211-8JRC-000090Potassium Chloride[K+].[ClH-]
7487-94-7231-299-8JRC-000013 Mercury DichlorideCl[Hg]Cl
7647-14-5231-598-3JRC-000081Sodium Chloride[Na+].[ClH-]
84-66-2201-550-6JRC-000242Diethyl PhthalateCCOC(=O)C1=C(C=CC=C1)C(=O)OCC
89-57-6201-919-1JRC-0002365-Aminosalicylic acidO=C(O)c(c(O)ccc1N)c1
302-17-0206-117-5JRC-000091Chloral Hydrate OC(O)C(Cl)(Cl)Cl
318-98-9206-268-7JRC-000085(±)-Propranolol Hydrochloridec12c(OC[C@@H](CNC(C)C)O)cccc1cccc2.Cl
554-13-2209-062-5JRC-000248Lithium CarbonateO=C(O[Li])O[Li]
56-75-7200-287-4JRC-000089ChloramphenicolOC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N](=O)=O
57-24-9200-319-7JRC-000093Strychnine[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC=CC=C7[C@@]1(CC[N@]2C4)[C@]6([H])[C@@]35[H]
58-89-9200-401-2JRC-000069LindaneCl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
6385-62-2-JRC-000259Diquat Dibromide Monohydratec1cc2c3[n+](CC[n+]2cc1)cccc3.[BrH-].[BrH-].O
7446-18-6231-201-3JRC-000087Thallium(I) sulfate[Tl].OS(=O)(=O)O.[Tl]
39515-41-8254-485-0JRC-000245FenpropathrinCC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
52-86-8200-155-6JRC-000084HaloperidolOC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
54-11-5200-193-3JRC-000068NicotineCN1CCC[C@H]1C1=CN=CC=C1
58-08-2200-362-1JRC-000005CaffeineO=C1C2=C(N=CN2C)N(C(=O)N1C)C
68-12-2200-679-5JRC-000077N,N-DimethylformamideO=CN(C)C
77-06-5201-001-0JRC-000246Gibberellic Acid[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O
7784-46-5232-070-5JRC-000251Sodium arsenite[Na]O[As]=O
7789-12-0616-541-6JRC-000252Sodium dichromate dihydrate[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O.[Na+].[Na+].O.O
94-13-3202-307-7JRC-000250PropylparabenO=C(OCCC)c(ccc(O)c1)c1
57-53-4200-337-5JRC-000092MeprobamateCCCC(C)(COC(N)=O)COC(N)=O
614-39-1210-381-7JRC-000095Procainamide HydrochlorideCl.CCN(CC)CCNC(=O)C1=CC=C(N)C=C1
76-03-9200-927-2JRC-000255Trichloroacetic acidOC(=O)C(Cl)(Cl)Cl
77-92-9201-069-1JRC-000240Citric AcidO=C(O)C(O)(CC(=O)O)CC(=O)O

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