Diazanaphthalenes
Dioxidine, TRC
CAS: 17311-31-8 Molecular Formula: C10 H10 N2 O4 Molecular Weight (g/mol): 222.197 Synonym: 2,3-Bis(hydroxymethyl)quinoxaline-1,4-di-N-oxide,2,3-Di(hydroxymethyl)quinoxaline 1,4-Di-N-oxide,2,3-Di(hydroxymethyl)quinoxaline Di-N-oxide,Dioxydine,Farmoxidin,Mastoxidine,Metrosept; IUPAC Name: [3-(hydroxymethyl)-1,4-dioxo-quinoxalin-2-yl]methanol SMILES: OCc1c(CO)n(=O)c2ccccc2n1=O
Ophthazin Sulfate, TRC
CAS: 7327-87-9 Molecular Formula: C8 H10 N6 . H2 O4 S Molecular Weight (g/mol): 288.28 Synonym: Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1),1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) (9CI),Phthalazine, 1,4-dihydrazino-, sulfate (1:1) (8CI),1,4-Dihydrazinophthalazine sulfate,Depressan,Dihydralazine sulfate,Dihydrazinophthalazine sulfate,Dihyzin IUPAC Name: (Z)-[(4Z)-4-hydrazinylidene-2,3-dihydrophthalazin-1-ylidene]hydrazine;sulfuric acid SMILES: N\N=C\1/NN\C(=N/N)\c2ccccc12.OS(=O)(=O)O
Azadiradione (~90%), TRC
CAS: 26241-51-0 Molecular Formula: C28 H34 O5 Molecular Weight (g/mol): 450.57 Synonym: (5α,7α,13α,17α)-7-(Acetyloxy)-21,23-epoxy-4,4,8-trimethyl-24-norchola-1,14,20,22-tetraene-3,16-dione IUPAC Name: [(5R,7R,8R,9R,10R,13S,17R)-17-(3-furyl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate SMILES: CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)C=C4[C@]13C)c5cocc5
Azelastine N-Oxide (Mixture of Diastereomers), TRC
CAS: 640279-88-5 Molecular Formula: C22 H24 Cl N3 O2 Molecular Weight (g/mol): 397.9 Synonym: 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1-oxido-1H-azepin-4-yl)-,Azelastine N-Oxide IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methyl-1-oxidoazepan-1-ium-4-yl)phthalazin-1-one SMILES: C[N+]1([O-])CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
6-Iodoquinazolin-4-one, TRC
CAS: 16064-08-7 Molecular Formula: C8H5IN2O Molecular Weight (g/mol): 272.05 Synonym: 6-Iodo-4(3H)-quinazolinone,6-Iodo-4(1H)-quinazolinone,6-Iodo-4-quinazolinol,6-Iodo-1H-quinazolin-4-one,6-Iodo-3,4-dihydroquinazolin-4-one,6-Iodo-3H-quinazolin-4-one,6-Iodo-4(3H)-quinazolinone,6-Iodo-4-quinazolone,6-Iodoquinazolin-4-ol SMILES: Ic1ccc2NC=NC(=O)c2c1
Vatalanib Dihydrochloride, TRC
CAS: 212141-51-0 Molecular Formula: C20 H15 Cl N4 . 2 Cl H Molecular Weight (g/mol): 419.73 Synonym: 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, hydrochloride (1:2),1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, dihydrochloride (9CI),Vatalanib dihydrochloride IUPAC Name: N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;dihydrochloride SMILES: Cl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1
Olaquindox, TRC
CAS: 23696-28-8 Molecular Formula: C12 H13 N3 O4 Molecular Weight (g/mol): 263.25 Synonym: 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide,Bayernox,BayoNox,Bisergon,NSC 634933,Olaquindox IUPAC Name: N-(2-hydroxyethyl)-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide SMILES: Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]
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
Albaconazole, TRC
CAS: 187949-02-6 Molecular Formula: C20 H16 Cl F2 N5 O2 Molecular Weight (g/mol): 431.82 IUPAC Name: 7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one SMILES: C[C@@H](N1C=Nc2cc(Cl)ccc2C1=O)[C@](O)(Cn3cncn3)c4ccc(F)cc4F
Cinoxacin, TRC
CAS: 28657-80-9 Molecular Formula: C12 H10 N2 O5 Molecular Weight (g/mol): 262.22 Synonym: [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-,1-Ethyl-3-carboxy-6,7-methylenedioxy-4-cinnolone,Cinobac,Cinobactin,Cinoxacin,Compound 64716,NSC 304467,Noxigram,Uronorm IUPAC Name: 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid SMILES: CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12
2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline, TRC
CAS: 77500-04-0 Molecular Formula: C11 H11 N5 Molecular Weight (g/mol): 213.24 Synonym: 3H-Imidazo[4,5-f]quinoxalin-2-amine, 3,8-dimethyl-,3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline,2-Amino-3,8-dimethylmidazo[4,5-f]quinoxaline,MeIQx IUPAC Name: 3,8-dimethylimidazo[4,5-f]quinoxalin-2-amine SMILES: Cc1cnc2ccc3c(nc(N)n3C)c2n1
2-Ethenyl-3,4-dihydroquinazolin-4-one, TRC
CAS: 91634-12-7 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.18 IUPAC Name: 2-ethenyl-3H-quinazolin-4-one SMILES: Oc1nc(C=C)nc2ccccc12
Brimonidine-2,3-dione, TRC
CAS: 182627-95-8 Molecular Formula: C11 H10 Br N5 O2 Molecular Weight (g/mol): 324.13 Synonym: 2,3-Quinoxalinedione, 5-bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-2,3-quinoxalinedione,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione SMILES: Brc1c(NC2=NCCN2)ccc3NC(=O)C(=O)Nc13
Lapatinib Ditosylate, TRC
CAS: 388082-77-7 Molecular Formula: C29 H26 Cl F N4 O4 S . 2 C7 H8 O3 S Molecular Weight (g/mol): 925.46 Synonym: 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, 4-methylbenzenesulfonate (1:2),4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, bis(4-methylbenzenesulfonate) (9CI),GW 572016F,Lapatinib ditosylate,Tykerb IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid SMILES: Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.CS(=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4