Diazanaphthalenes
Luminol, TRC
CAS: 521-31-3 Molecular Formula: C8 H7 N3 O2 Molecular Weight (g/mol): 177.16 Synonym: 1,4-Phthalazinedione, 5-amino-2,3-dihydro-,5-Amino-2,3-dihydro-1,4-phthalazinedione,3-Aminophthalhydrazide,3-Aminophthalic acid hydrazide,3-Aminophthalic hydrazide,5-Amino-1,4-dihydroxyphthalazine,Diogenes reagent,Luminol,NSC 5064 IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione SMILES: Nc1cccc2C(=O)NNC(=O)c12
Alfuzosin, TRC
CAS: 81403-80-7 Molecular Formula: C19H28ClN5O4 Molecular Weight (g/mol): 425.91 Synonym: 2-Furancarboxamide, N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-,N-[3-[(4-Amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-2-furancarboxamide,Alfuzosin,N-[3-[N-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-N-(methyl)amino]propyl]tetrahydrofuran-2-carboxamide,SL 77499 IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide SMILES: COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3
2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-f]quinoxaline, TRC
CAS: 132898-07-8 Molecular Formula: C13 H15 N5 Molecular Weight (g/mol): 241.29 Synonym: 3,4,7,8-Tetramethyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-f]quinoxaline,2-Amino-3,4,7,8-tetramethylimidazo[4,5-f]quinoxaline,4,7,8-TriMeIQx IUPAC Name: 3,4,7,8-tetramethylimidazo[4,5-f]quinoxalin-2-amine SMILES: Cc1cc2nc(C)c(C)nc2c3nc(N)n(C)c13
Clofazimine, TRC
CAS: 2030-63-9 Molecular Formula: C27 H22 Cl2 N4 Molecular Weight (g/mol): 473.4 Synonym: Clofazimine,N,5-Bis(4-chlorophenyl)-3-[(1-methylethyl)imino]-3,5-dihydrophenazin-2-amine,2-Phenazinamine, N,5-bis(4-chlorophenyl)-3,5-dihydro-3-[(1-methylethyl)imino]-,Phenazine, 3-(p-chloroanilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)- (6CI,7CI,8CI),N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-[(1-methylethyl)imino]-2-phenazinamine,2-(4-Chloroanilino)-3-isopropylimino-5-(4-chlorophenyl)-3,5-dihydrophenazine,2-p-Chloroanilino-5-p-chlorophenyl-3,5-dihydro-3-isopropyliminophenazine,3-(p-Chloroanilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)phenazine,B 663,B 663 (pharmaceutical),Chlofazimine,G 30320,Hansepran,Lampren,Lamprene,NSC 141046 IUPAC Name: N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine SMILES: CC(C)N=C1C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5
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
Gefitinib, TRC
CAS: 184475-35-2 Molecular Formula: C22 H24 Cl F N4 O3 Molecular Weight (g/mol): 446.9 IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4
Nalidixic Acid, TRC
CAS: 389-08-2 Molecular Formula: C12 H12 N2 O3 Molecular Weight (g/mol): 232.24 Synonym: Nalidixic acid,1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid,1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,4-Dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,1-Ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid,1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid,3-Carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one,Betaxina,Cybis,Dixiben,Eucistin,Innoxalomn,NSC 82174,Nacid,Nalidic acid,Nalidicron,Nalidixan,Nalidixic acid,Nalidixin,Nalidixinic acid,Nalitucsan,Nalix,Nalurin,Narigix,Naxuril,NegGram,Nelidix,Nevigramon,Nicelate,Nogram,Poleon,Specifin,Uralgin,Uriben,Uriclar,Urisal,Urodixin,Uroman,Uroneg,Uropan,Win 18320,Wintomylon IUPAC Name: 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid SMILES: CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12
1-Aminophthalazine, TRC
CAS: 19064-69-8 Molecular Formula: C8 H7 N3 Molecular Weight (g/mol): 145.16 IUPAC Name: phthalazin-1-amine SMILES: Nc1nncc2ccccc12
Desbromo Brimonidine, TRC
CAS: 91147-43-2 Molecular Formula: C11 H11 N5 Molecular Weight (g/mol): 213.24 Synonym: N-(4,5-Dihydro-1H-imidazol-2-yl)-6-quinoxalinamine,UK 41511 IUPAC Name: N-quinoxalin-6-ylimidazolidin-2-imine SMILES: C1CNC(=Nc2ccc3nccnc3c2)N1
Azelastine Hydrochloride, TRC
CAS: 79307-93-0 Molecular Formula: C22 H24 Cl N3 O . Cl H Molecular Weight (g/mol): 418.36 Synonym: 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)-, hydrochloride (1:1),1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)-, monohydrochloride (9CI),A 5610,Allergodil,Astelin,Astepro,Azelast,Azelastine hydrochloride,Azeptin,E 0659,Optivar,Rhinolast,W 2979M,Zalastine IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one;hydrochloride SMILES: Cl.CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
6-Chloro-2-methoxyquinoxaline, TRC
CAS: 104152-39-8 Molecular Formula: C9H7ClN2O Molecular Weight (g/mol): 194.62 Synonym: 6-Chloro-2-methoxyquinoxaline IUPAC Name: 6-chloro-2-methoxyquinoxaline SMILES: COc1cnc2cc(Cl)ccc2n1