Pyridines and derivatives
Bictegravir, TRC
CAS: 1611493-60-7 Molecular Formula: C21 H18 F3 N3 O5 Molecular Weight (g/mol): 449.3799 Synonym: 2,5-Methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide, 2,3,4,5,7,9,13,13a-octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-, (2R,5S,13aR)-,(2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide,Bictegravir,GS 9883 IUPAC Name: (1S,11R,13R)-5-hydroxy-3,6-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide SMILES: OC1=C2N(C[C@H]3O[C@@H]4CC[C@@H](C4)N3C2=O)C=C(C(=O)NCc5c(F)cc(F)cc5F)C1=O
Flazasulfuron, TRC
CAS: 104040-78-0 Molecular Formula: C13 H12 F3 N5 O5 S Molecular Weight (g/mol): 407.33 Synonym: N-[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(trifluoromethyl)-2-pyridinesulfonamide,1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-trifluoromethyl-2-pyridylsulfonyl)urea,Chikara,Flazasulfuron,Katana,OK 1166,SL 160,Shibagen,Shibagen DF,2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(trifluoromethyl)- IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-(trifluoromethyl)pyridin-2-yl]sulfonylurea SMILES: COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(F)(F)F)n1
Dehydronitrendipine, TRC
CAS: 89267-41-4 Molecular Formula: C18 H18 N2 O6 Molecular Weight (g/mol): 358.35 Synonym: Ethyl Methyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate,Nitrendipine Imp. A (EP),Photolysis Product of Nitrendipine IUPAC Name: 3-O-ethyl 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate SMILES: CCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1c2cccc(c2)[N+](=O)[O-]
Karetazan, TRC
CAS: 81051-65-2 Molecular Formula: C15 H14 Cl N O3 Molecular Weight (g/mol): 291.73 Synonym: 2-(4-Chlorophenyl)-1-ethyl-1,4-dihydro-6-methyl-4-oxo-3-pyridinecarboxylic acid,Karetazan IUPAC Name: 2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid SMILES: CCN1C(=CC(=O)C(=C1c2ccc(Cl)cc2)C(=O)O)C
Clopidol, TRC
CAS: 2971-90-6 Molecular Formula: C7 H7 Cl2 N O Molecular Weight (g/mol): 192.04 Synonym: 3,5-Dichloro-2,6-dimethyl-4-pyridinol,2,6-Dimethyl-3,5-dichloro-4-hydroxypyridine,2,6-Dimethyl-3,5-dichloro-4-pyridinol,3,5-Dichloro-2,6-dimethyl-4-hydroxypyridine,3,5-Dichloro-2,6-dimethylpyridinol,3,5-Dichloro-4-hydroxy-2,6-dimethylpyridine,Clopidol,Coccidiostat C,Coyden,Coyden 25,Farmcoccid,Lerbek,Methylchloropindol,Methylchlorpindol,Meticlorpindol,NSC 253479,Pharmcoccid,Pharmcoccid 10,WR 61112 IUPAC Name: 3,5-dichloro-2,6-dimethylpyridin-4-ol SMILES: Cc1nc(C)c(Cl)c(O)c1Cl
Nudifloramide, TRC
CAS: 701-44-0 Molecular Formula: C7 H8 N2 O2 Molecular Weight (g/mol): 152.151 Synonym: 3-Pyridinecarboxamide, 1,6-dihydro-1-methyl-6-oxo-,Nicotinamide, 1,6-dihydro-1-methyl-6-oxo- (6CI,8CI),Nudifloramide (7CI),1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarboxamide,1,6-Dihydro-1-methyl-6-oxonicotinamide,1-Methyl-3-carboxamide-6-pyridone,1-Methyl-6-oxo-1,6-dihydronicotinamide,1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxamide,1-Methyl-6-oxopyridine-3-carboxamide,1-Methyl-6-pyridone-3-carboxylamide,3-Carbamoyl-1-methyl-6-pyridone,5-Aminocarbonyl-1-methyl-2(1H)-pyridone,N-Methyl-2-pyridinone-5-carboxamide,N-Methyl-2-pyridone-5-carboxamide,N-Methyl-5-carboxamide-2-pyridone,N1-Methyl-2-pyridone-5-carboxamide,N1-Methyl-2-pyridone-5-carboxamide,N1-Methyl-2-pyridone-5-carboxyamide IUPAC Name: 1-methyl-6-oxopyridine-3-carboxamide SMILES: CN1C=C(C=CC1=O)C(=O)N
Triclopyr, TRC
CAS: 55335-06-3 Molecular Formula: C7 H4 Cl3 N O3 Molecular Weight (g/mol): 256.47 Synonym: Acetic acid, 2-[(3,5,6-trichloro-2-pyridinyl)oxy]- (ACI),2-[(3,5,6-Trichloro-2-pyridinyl)oxy]acetic acid (ACI),Acetic acid, [(3,5,6-trichloro-2-pyridinyl)oxy]- (9CI),Acetic acid, [(3,5,6-trichloro-2-pyridyl)oxy]- (6CI, 7CI),2-[(3,5,6-Trichloropyridinyl)oxy]acetic acid,3,5,6-TPA,3,5,6-Trichloro-2-pyridinyloxyacetic acid,3,5,6-Trichloro-2-pyridinyloxyethanoic acid,3,5,6-Trichloro-2-pyridyloxyacetic acid,Dowco 233,Garlon,Garlon 2,Garlon 250,Grandstsnd,Maxim,Maxim (auxin),NSC 190671,Redeem,Release,Remedy,Triclopyr IUPAC Name: 2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid SMILES: OC(=O)COc1nc(Cl)c(Cl)cc1Cl
Flupyradifurone, TRC
CAS: 951659-40-8 Molecular Formula: C12 H11 Cl F2 N2 O2 Molecular Weight (g/mol): 288.68 Synonym: 2(5H)-Furanone, 4-[[(6-chloro-3-pyridinyl)methyl](2,2-difluoroethyl)amino]-,3-[[(6-Chloro-3-pyridyl)methyl](2,2-difluoroethyl)amino]-2H-furan-5-one,4-[[(6-Chloropyridin-3-yl)methyl](2,2-difluoroethyl)amino]furan-2(5H)-one,BYI 02960,Flupyradifurone IUPAC Name: 3-[(6-chloropyridin-3-yl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one SMILES: FC(F)CN(Cc1ccc(Cl)nc1)C2=CC(=O)OC2
Felodipine, TRC
CAS: 72509-76-3 Molecular Formula: C18 H19 Cl2 N O4 Molecular Weight (g/mol): 384.25 Synonym: 3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, 3-ethyl 5-methyl ester,3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, ethyl methyl ester (9CI),4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid ethyl methyl ester,(±)-Felodipine,(RS)-Felodipine,Agon,Feloday,Felodipine,Flodil,H 154/82,Hydac,Munobal,Plendil,Prevex,Splendil,dl-Felodipine IUPAC Name: 5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate SMILES: CCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C
Thiacloprid, TRC
CAS: 111988-49-9 Molecular Formula: C10 H9 Cl N4 S Molecular Weight (g/mol): 252.72 Synonym: Cyanamide, N-[3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]-, [N(Z)]- (ACI),[N(Z)]-N-[3-[(6-Chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide (ACI),Cyanamide, [3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]-, [N(Z)]- (9CI),Bariard,Biscaya,Calypso,Calypso (pesticide),Calypso 480SC,Calypso 4F,Calypso 70WG,Calypso Ultra,Sonido,Thiacloprid IUPAC Name: (Z)-[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide SMILES: Clc1ccc(CN2CCS/C/2=N\C#N)cn1
Nicosulfuron, TRC
CAS: 111991-09-4 Molecular Formula: C15 H18 N6 O6 S Molecular Weight (g/mol): 410.4 Synonym: 2-[[[[(4,6-Dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-N,N-dimethyl-3-pyridinecarboxamide,Accent,Accent (pesticide),DPX-V 9360,EMA 1534,HU 195,Kelvin,Kelvin OD,Milagro,Milagro Extra,Milagro Extra 6 OD,Motivell,N-[(4,6-Dimethoxypyrimidin-2-yl)aminocarbonyl]-3-dimethylaminocarbonyl-2-pyridinesulfonamide,Nicosulfuron,One Hope,Onehope Nyuzai,SL 950,Samson,Termidor,Termidor (herbicide) IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide SMILES: COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
IOX4, TRC
CAS: 1154097-71-8 Molecular Formula: C15H16N6O3 Molecular Weight (g/mol): 328.33 Synonym: 6-[2,5-Dihydro-5-oxo-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl]-3-pyridinecarboxylic Acid 1,1-Dimethylethyl Ester; IUPAC Name: tert-butyl 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinate SMILES: CC(C)(C)OC(C1=CN=C(N2NC=C(N3C=CN=N3)C2=O)C=C1)=O
Dehydronitrosonisoldipine, TRC
CAS: 87375-91-5 Molecular Formula: C20H22N2O5 Molecular Weight (g/mol): 370.4 Synonym: 2,6-Dimethyl-4-(2-nitrosophenyl)-3,5-pyridinedicarboxylic Acid 3-Methyl 5-(2-Methylpropyl) Ester,2,6-Dimethyl-4-(2-nitrosophenyl)-3,5-pyridinedicarboxylic Acid Methyl 2-Methylpropyl Ester,5-Methyl 3-(2-Methylprop-3-yl) 2,6-Dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate,Nisoldipine Impurity D SMILES: COC(=O)c1c(C)nc(C)c(C(=O)OCC(C)C)c1c2ccccc2N=O
Nifedipine, TRC
CAS: 21829-25-4 Molecular Formula: C17 H18 N2 O6 Molecular Weight (g/mol): 346.33 Synonym: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester (9CI),3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-, dimethyl ester (8CI),1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester,2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-nitrophenyl)-1,4-dihydropyridine,2,6-Dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester,4-(2-Nitrophenyl)-2,6-dimethyl-3,5-dicarbomethoxy-1,4-dihydropyridine,Adalat,Adalat 10,Adalat 20,Adalat 5,Adalat CC,Adalat CR,Adalat Crono,Adalat FT,Adalat GITS,Adalat GITS 30,Adalat LA,Adalat LP,Adalat Oros,Adalat PA,Adalat retard,Adalate,Adapine,Adapress,Alat,Aldipin,Alfadat,Alonix,Alonix S,Alpha-Nifedipine Retard,Angipec,Anifed,Anpine,Apo-Nifed,Aprical,BAY 1040,BAY-a 1040,Bonacid,Calbloc retard,Calcibloc,Calcigard,Calcigard retard,Calciguard,Calcilat,Camont,Cardifen,Cardilat,Cardilate,Cardionorm,Cardules retard,Chronadalate,Chronadalate LP,Citilat,Coracten,Coral,Cordafen,Cordaflex,Cordalat,Cordicant,Cordilan,Cordipin,Cordipin-retard,Corinfar,Corinfar retard,Corotrend,Corynphar,Depicor SR,Depin,Depin retard,Dignokonstant,Dilafed,Dilcor,Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate,Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,Dimethyl 4-(o-Nitrophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate,Dipinkor,Duranifin,Ecodipi,Ecodipin,Ecodipin E,Fedcor,Fedcor Retard,Fedipin,Fenamon,Fenamon SR,Fenihidine,Glopir,Hadipine,Hexadilat,Introcar,Kordafen,Macorel,Megalat,Myogard,NIfedilat,Nedipin,Nicardia,Nicardia retard,Nifangin,Nifar,Nifdemin,Nifebene,Nifecard,Nifecor,Nifedate,Nifedepat,Nifedicor,Nifedin,Nifedine,Nifedine SR,Nifedipine,Nifedipine retard,Nifedipres,Nifedirex LP,Nifelan,Nifelantern,Nifelat,Nifelat Q,Nifelate,Nifelet retard,Nifensar XL,Nificard,Nifidine,Nifipen,Niphedipine,Normadil,Novo Nifedin,Nyefax,Nyefax Retard,Orix,Osmo-Adalat,Oxcord,Pidilat,Procardia,Procardia XL,Sepamit,Sepamit R,Slofedipine XL,TN 873R,Tensopin,Tibricol,UV-ENP 349PINA,Vasdalat,Vasdalat Retard,Vasofed,Xinran,Zenusin IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate SMILES: COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C
Enpiroline, TRC
CAS: 66364-73-6 Molecular Formula: C19 H18 F6 N2 O Molecular Weight (g/mol): 404.35 Synonym: αr)-Rel-α-(2R)-2-Piperidinyl-2-(Trifluoromethyl)-6-[4-(Trifluoromethyl)Phenyl]-4-Pyridinemethanol,(R*,R*)-(±)-α-2-Piperidinyl-2-(Trifluoromethyl)-6-[4-(Trifluoromethyl)Phenyl]-4-Pyridinemethanol SMILES: O[C@@H]([C@H]1Ccccn1)C2Cc(Nc(C2)C(F)(F)F)C3Ccc(Cc3)C(F)(F)F