Diazanaphthaline
Erastin, TRC
CAS: 571203-78-6 Summenformel: C30H31ClN4O4 Molekulargewicht (g/mol): 547.04 Synonym: 2-[1-[4-[2-(4-Chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-quinazolinone IUPAC-Name: 2-(1-(4-(2-(4-chlorophenoxy)acetyl)piperazin-1-yl)ethyl)-3-(2-ethoxyphenyl)quinazolin-4(3H)-one SMILES: O=C1N(C2=CC=CC=C2OCC)C(C(N3CCN(C(COC4=CC=C(Cl)C=C4)=O)CC3)C)=NC5=C1C=CC=C5
Enoxacin Sesquihydrate, TRC
CAS: 84294-96-2 Summenformel: 2 C15 H17 F N4 O3 . 3 H2 O Molekulargewicht (g/mol): 694.68 Synonym: 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-Naphthyridine-3-carboxylic Acid Hydrate (2:3),Enoxacin Sesquihydrate,1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrate (2:3) (9CI, ACI) IUPAC-Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;trihydrate SMILES: O.O.O.CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3.CCN4C=C(C(=O)O)C(=O)c5cc(F)c(nc45)N6CCNCC6
Trovafloxacin, TRC
CAS: 147059-72-1 Summenformel: C20H15F3N4O3 Molekulargewicht (g/mol): 416.35 Synonym: 7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid,Turvel,3-Azabicyclo[3.1.0]hexane, 1,8-naphthyridine-3-carboxylic acid derivative,7-[(1alpha,5alpha,6alpha)-6-Amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid IUPAC-Name: 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid SMILES: N[C@@H]1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(=O)O)C(=O)c4cc3F)c5ccc(F)cc5F
Desbromo Brimonidine, TRC
CAS: 91147-43-2 Summenformel: C11 H11 N5 Molekulargewicht (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
O-Desmethyl Gefitinib, TRC
CAS: 847949-49-9 Summenformel: C21 H22 Cl F N4 O3 Molekulargewicht (g/mol): 432.88 Synonym: 7-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]-,4-[(3-Chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]-7-quinazolinol,N-(3-Chloro-4-fluorophenyl)-7-hydroxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine,4-[(3-Chloro-4-fluorophenyl)amino]-6-[3-(morpholin-4-yl)propoxy]quinazolin-7-ol IUPAC-Name: 4-(3-chloro-4-fluoroanilino)-6-(3-morpholin-4-ylpropoxy)quinazolin-7-ol SMILES: Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4
Enoxacin, TRC
CAS: 74011-58-8 Summenformel: C15 H17 F N4 O3 Molekulargewicht (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
4-[(4-Chlorophenyl)methyl]-1(2H)-phthalazinone, TRC
CAS: 53242-88-9 Summenformel: C15 H11 Cl N2 O Molekulargewicht (g/mol): 270.71 Synonym: 4-(4-Chlorobenzyl)phthalazin-1(2H)-one,Azelastine Hydrochloride Imp. D (EP) IUPAC-Name: 4-[(4-chlorophenyl)methyl]-2H-phthalazin-1-one SMILES: Clc1ccc(CC2=NNC(=O)c3ccccc23)cc1
1-Aminophthalazine, TRC
CAS: 19064-69-8 Summenformel: C8 H7 N3 Molekulargewicht (g/mol): 145.16 IUPAC-Name: phthalazin-1-amine SMILES: Nc1nncc2ccccc12
Alfuzosin, TRC
CAS: 81403-80-7 Summenformel: C19H28ClN5O4 Molekulargewicht (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
Desoxycarbadox, TRC
CAS: 55456-55-8 Summenformel: C11 H10 N4 O2 Molekulargewicht (g/mol): 230.2227 Synonym: Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester (9CI),Desoxycarbadox,Methyl 3-(2-quinoxalinylmethylene)carbazate IUPAC-Name: methyl N-[(E)-quinoxalin-2-ylmethylideneamino]carbamate SMILES: COC(=O)N\N=C\c1cnc2ccccc2n1
Gefitinib, TRC
CAS: 184475-35-2 Summenformel: C22 H24 Cl F N4 O3 Molekulargewicht (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
2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-f]quinoxaline, TRC
CAS: 132898-07-8 Summenformel: C13 H15 N5 Molekulargewicht (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
Carbadox, TRC
CAS: 6804-07-5 Summenformel: C11 H10 N4 O4 Molekulargewicht (g/mol): 262.22 Synonym: Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide (7CI),Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N1,N4-dioxide (8CI),Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide,Hydrazinecarboxylic acid, [(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester (9CI),2-Formylquinoxaline-1,4-dioxide carbomethoxyhydrazone,Carbadox,Fortigro,GS 6244,Getroxel,Mecadox,Methyl 3-(2-quinoxalinylmethylene)carbazate N1,N4-dioxide,Quinoxaline-2-carbomethoxyhydrazone 1,4-dioxide IUPAC-Name: methyl N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]carbamate SMILES: COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-]