Diazanaphthalenes
Luminol, TRC
CAS: 521-31-3 Formula molecolare: C8 H7 N3 O2 Molecular Weight (g/mol): 177.16 Sinonimo: 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
Enoxacin Sesquihydrate, TRC
CAS: 84294-96-2 Formula molecolare: 2 C15 H17 F N4 O3 . 3 H2 O Molecular Weight (g/mol): 694.68 Sinonimo: 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
Erastin, TRC
CAS: 571203-78-6 Formula molecolare: C30H31ClN4O4 Molecular Weight (g/mol): 547.04 Sinonimo: 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
Clofazimine, TRC
CAS: 2030-63-9 Formula molecolare: C27 H22 Cl2 N4 Molecular Weight (g/mol): 473.4 Sinonimo: 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 Formula molecolare: C12 H9 N5 O3 Molecular Weight (g/mol): 271.23 Sinonimo: 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
1-Aminophthalazine, TRC
CAS: 19064-69-8 Formula molecolare: C8 H7 N3 Molecular Weight (g/mol): 145.16 IUPAC Name: phthalazin-1-amine SMILES: Nc1nncc2ccccc12
O-Desmethyl Gefitinib, TRC
CAS: 847949-49-9 Formula molecolare: C21 H22 Cl F N4 O3 Molecular Weight (g/mol): 432.88 Sinonimo: 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
6-Chloro-2-methoxyquinoxaline, TRC
CAS: 104152-39-8 Formula molecolare: C9H7ClN2O Molecular Weight (g/mol): 194.62 Sinonimo: 6-Chloro-2-methoxyquinoxaline IUPAC Name: 6-chloro-2-methoxyquinoxaline SMILES: COc1cnc2cc(Cl)ccc2n1
Trovafloxacin, TRC
CAS: 147059-72-1 Formula molecolare: C20H15F3N4O3 Molecular Weight (g/mol): 416.35 Sinonimo: 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
4-[(4-Chlorophenyl)methyl]-1(2H)-phthalazinone, TRC
CAS: 53242-88-9 Formula molecolare: C15 H11 Cl N2 O Molecular Weight (g/mol): 270.71 Sinonimo: 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
Enoxacin, TRC
CAS: 74011-58-8 Formula molecolare: C15 H17 F N4 O3 Molecular Weight (g/mol): 320.32 Sinonimo: 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