Organoheterocyclic compounds
Clothianidin, TRC
CAS: 210880-92-5 Molecular Formula: C6 H8 Cl N5 O2 S Molecular Weight (g/mol): 249.68 Synonym: [C(E)]-N-[(2-Chloro-5-thiazolyl)methyl]-N'-methyl-N' '-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-yl methyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazol-5-ylmethyl)-3-methyl-2-nitroguanidine,(E)-1-(2-Chloro-1,3-thiazole-5-ylmethyl)-3-methyl-2-nitroguanidine,Apacz,Arena,Belay,Celero,Clothianidin,Clutch,Clutch (insecticide),Dantop,Dantotsu,Dantotsu 16WSG,Fullswing,NipsIt,NipsIt Inside,Nipsit Inside Insecticide,Poncho,Poncho 250,Poncho 600,TI 435,TM 44401,Takeloc CLMN 10,Takeloc MC 50 Super,Takeloc MC 50E,Takelock MC 50 super,Titan ST,V 10170 IUPAC Name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine SMILES: CN\C(=N/[N+](=O)[O-])\NCc1cnc(Cl)s1
Acetaminotadalafil, TRC
CAS: 1446144-71-3 Molecular Formula: C23 H20 N4 O5 Molecular Weight (g/mol): 432.43 Synonym: Acetamide, N-[(6R,12aR)-6-(1,3-benzodioxol-5-yl)-3,4,6,7,12,12a-hexahydro-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]-,N-[(6R,12aR)-6-(1,3-Benzodioxol-5-yl)-3,4,6,7,12,12a-hexahydro-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]acetamide,Acetaminotadalafil IUPAC Name: N-[(2R,8R)-2-(1,3-benzodioxol-5-yl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-6-yl]acetamide SMILES: CC(=O)NN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c5ccc6OCOc6c5)C1=O
Perphenazine, TRC
CAS: 58-39-9 Molecular Formula: C21 H26 Cl N3 O S Molecular Weight (g/mol): 403.97 Synonym: 1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]- (8CI),4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol,1-(2-Hydroxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine,2-Chloro-10-3-[1-(2-hydroxyethyl)-4-piperazinyl] propyl phenothiazine,2-Chloro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine,Chloriprozine,Chlorperphenazine,Decentan,Emesinal,Etaperazin,Etaperazine,Ethaperazine,Fentazin,Fentazin syrup,Fentazine duolets,Mutabom,NSC 150866,PZC,PZC (tranquilizer),Perfenazine,Perfenil,Perphenan,Perphenazin,Perphenazine,Sch 3940,Thilatazin,Tranquisan,Trifaron,Trilafon,Trilifan,Triphenot,γ-[4-(β-Hydroxyethyl)piperazin-1-yl]propyl-2-chlorophenothiazine IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol SMILES: OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1
Trametinib, TRC
CAS: 871700-17-3 Molecular Formula: C26 H23 F I N5 O4 Molecular Weight (g/mol): 615.39 Synonym: Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-,N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide,G 02442104,GSK 1120212,GSK 212,JTP 74057,Mekinist,N-[3-[3-Cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide,Trametinib,Trametinib related,GSK 1120212A IUPAC Name: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide SMILES: CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C
Enoxacin, TRC
CAS: 74011-58-8 Molecular Formula: C15 H17 F N4 O3 Molecular Weight (g/mol): 320.32 Synonym: 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)- (9CI, ACI),1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid (ACI),1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-1,8-naphthyridine-3-carboxylate,AT 2266,CI 919,Enofloxacin,Enofloxacine,Enoksetin,Enoxacine,ENOXOR,Flumark,MeSH ID: D015365,NSC 629661,PD 107779,Penetrex,Penetrex (pharmaceutical) IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid SMILES: CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3
Isradipine, TRC
CAS: 75695-93-1 Molecular Formula: C19 H21 N3 O5 Molecular Weight (g/mol): 371.39 Synonym: Isradipine,Methyl 1-methylethyl (4RS)-4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 3-O-methyl 5-O-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate SMILES: COC(=O)C1=C(C)NC(=C(C1c2cccc3nonc23)C(=O)OC(C)C)C
Flurochloridon, TRC
CAS: 61213-25-0 Molecular Formula: C12 H10 Cl2 F3 N O Molecular Weight (g/mol): 312.12 Synonym: 3-Chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone,Fluorochloridone,Flurochloridone,R 40244,Racer,Racer 25,Racer 250 EC,Rainbow,Twin Gold Pack,2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]- IUPAC Name: 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one SMILES: FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O
DBU, TRC
CAS: 6674-22-2 Molecular Formula: C9 H16 N2 Molecular Weight (g/mol): 152.24 Synonym: 1,8-Diazabicyclo[5.4.0]undec-7-ene,Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-,2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine,1,8-Diaza-7-bicyclo[5.4.0]undecene,1,8-Diazabicyclo[5.4.0]undec-7-ene,1,8-Diazabicyclo[5.4.0]undeca-7-ene,1,8-Diazabicyclo[5.4.0]undecene-7,1,8-Diazabicycloundec-7-ene,2H,3H,4H,6H,7H,8H,9H,10H-Pyrimido[1,2-a]azepine,Active D 10,Alcanpoudre DBU 70-3KG,Amicure DBUE,DBU,Dabco DBU,Diazabicyclo[5.4.0]undec-7-ene,Lupragen N 700,NSC 111184,NSC 230466,PC CAT DBU,Polycat DBU,San-apro,U-CAT SA 851,DBU (GR53261X) IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCN2CCCN=C2CC1
Buthiazide, TRC
CAS: 2043-38-1 Molecular Formula: C11 H16 Cl N3 O4 S2 Molecular Weight (g/mol): 353.85 Synonym: 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-(2-methylpropyl)-, 1,1-dioxide,2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-isobutyl-, 1,1-dioxide (6CI,7CI,8CI),3-Isobutyl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide,3500S,Buthiazide,Butizid,Butizide,Eunephran,Isobutylhydrochlorothiazide,Modenol,S 3500,Saltucin,Su 6187,Thiabutazide IUPAC Name: 6-chloro-3-(2-methylpropyl)-1,1-dioxo-3,4-dihydro-2H-1λ^{6},2,4-benzothiadiazine-7-sulfonamide SMILES: CC(C)CC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N
Etoricoxib, TRC
CAS: 202409-33-4 Molecular Formula: C18 H15 Cl N2 O2 S Molecular Weight (g/mol): 358.84 Synonym: Etoricoxib,2,3'-Bipyridine, 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-,5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine,Algix,Arcoxia,Etobrix,Etocox,Etoricoxib,Etosaid,Etoxib,Etropain,Kingcox,MK 0663,MK 663,Nucoxia,Tauxib,Torcoxia IUPAC Name: 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine SMILES: Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C
Pomalidomide, TRC
CAS: 19171-19-8 Molecular Formula: C13 H11 N3 O4 Molecular Weight (g/mol): 273.24 Synonym: 1H-Isoindole-1,3(2H)-dione, 4-amino-2-(2,6-dioxo-3-piperidinyl)-,Phthalimide, 3-amino-N-(2,6-dioxo-3-piperidyl)- (8CI),4-Amino-2-(2,6-dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione,2-(2,6-Dioxopiperidin-3-yl)-4-amino-isoindole-1,3-dione,4-Amino-2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione,4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione,4-Amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione,4-Amino-2-(2,6-dioxopiperidine-3-yl)isoindoline-1,3-dione,Actimid,CC 4047,Pomalidomide,Pomalyst IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SMILES: Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Chlorpheniramine, TRC
CAS: 132-22-9 Molecular Formula: C16 H19 Cl N2 Molecular Weight (g/mol): 274.79 Synonym: 2-Pyridinepropanamine, γ-(4-chlorophenyl)-N,N-dimethyl-,Pyridine, 2-[p-chloro-α-[2-(dimethylamino)ethyl]benzyl]- (8CI),γ-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine,(±)-Chloropheniramine,(±)-Chlorpheniramine,1-(p-Chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane,2-[p-Chloro-α-[2-(dimethylamino)ethyl]benzyl]pyridine,3-(p-Chlorophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine,4-Chloropheniramine,Allergican,Chloropheniramine,Chlorophenylpyridamine,Chloroprophenpyridamine,Chlorphenamine,Chlorpheniramine,Chlorprophenpyridamine,Haynon,RS-Chlorpheniramine,dl-1-(p-Chlorophenyl)-1-(2-pyridyl)-3-(dimethylamino)propane,γ-(4-Chlorophenyl)-γ-(2-pyridyl)propyldimethylamine IUPAC Name: 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine SMILES: CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2
Cyadox, TRC
CAS: 65884-46-0 Molecular Formula: C12 H9 N5 O3 Molecular Weight (g/mol): 271.23 Synonym: Ciadox,Cyanoacetic Acid [(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide,Cyanoacetic Acid (2-Quinoxalinylmethylene)hydrazide, N,N'-Dioxide,2-Cyanoacetic Acid 2-[(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide IUPAC Name: 2-cyano-N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]acetamide SMILES: [O-][n+]1cc(\C=N\NC(=O)CC#N)[n+]([O-])c2ccccc12
Phenolphthalein, TRC
CAS: 77-09-8 Molecular Formula: C20 H14 O4 Molecular Weight (g/mol): 318.32 Synonym: Phenolphthalein,3,3-bis(4-hydroxyphenyl)isobenzofuran-1(3H)-one,1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-,Phenolphthalein (8CI),3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone,3,3-Bis(4-hydroxyphenyl)phthalide,3,3-Bis(p-hydroxyphenyl)phthalide,Euchessina,Koprol,Laxogen,Lilo,NSC 10464,NSC 215214,Phthalimetten,Phthalin,Purga,Purgen,Purgophen,Spulmako-lax,TY 9,Trilax IUPAC Name: 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one SMILES: Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4
Linezolid, TRC
CAS: 165800-03-3 Molecular Formula: C16 H20 F N3 O4 Molecular Weight (g/mol): 337.35 Synonym: Acetamide, N-[[(5S)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-,N-{[(S)-3-(3-Fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl]methyl}acetamide;Acetamide, N-[[3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-, (S)-,(S)-Linezolid,Averozolid,Linezolid,Linospan,Linox,Lizoforce,Lizolid,N-[[(5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide,N-[[(5S)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide,PNU 100766,U 100766,Zyrox,Zyvox,Zyvoxid IUPAC Name: N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2