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
Enoxacin, TRC
CAS: 74011-58-8 Chemical Name or Material: Enoxacin Formula Weight: 320.1285 InChI Formula: InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23) IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid Molecular Formula: C15 H17 F N4 O3 Molecular Weight (g/mol): 320.32 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: +4°C SMILES: CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3 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)
Vandetanib, TRC
CAS: 443913-73-3 Molecular Formula: C22 H24 Br F N4 O2 Molecular Weight (g/mol): 475.35 Synonym: 4-Quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-,N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine,4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline,CH 331,Caprelsa,N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-(N-methylpiperidin-4-ylmethoxy)quinazolin-4-amine,N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine,Vandetanib,ZD 6474,Zactima IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine SMILES: COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
Azelastine Hydrochloride, TRC
CAS: 79307-93-0 Chemical Name or Material: Azelastine hydrochloride Formula Weight: 417.1375 InChI Formula: InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one;hydrochloride Molecular Formula: C22 H24 Cl N3 O . Cl H Molecular Weight (g/mol): 418.36 Recommended Storage: -20°C SMILES: Cl.CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O 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
Alfuzosin, TRC
CAS: 81403-80-7 Chemical Name or Material: Alfuzosin Formula Weight: 389.2063 InChI Formula: InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23) IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide Molecular Formula: C19H28ClN5O4 Molecular Weight (g/mol): 425.91 Recommended Storage: -20°C SMILES: COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3 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
Erastin, TRC
CAS: 571203-78-6 Molecular Formula: C30H31ClN4O4 Molecular Weight (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 Molecular Formula: 2 C15 H17 F N4 O3 . 3 H2 O Molecular Weight (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
Carbadox (Technical Grade), TRC
CAS: 6804-07-5 Molecular Formula: C11 H10 N4 O4 Molecular Weight (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-]
Gefitinib, TRC
CAS: 184475-35-2 Chemical Name or Material: Gefitinib Formula Weight: 446.1521 InChI Formula: InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine Molecular Formula: C22 H24 Cl F N4 O3 Molecular Weight (g/mol): 446.9 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4 Synonym: 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-,N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine,(3-Chloro-4-fluorophenyl)[7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl]amine,4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline,4-(3'-Chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline,Gefitinib,Gefonib,Iressa,N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine,ZD 1839,ZD1839
Nalidixic Acid, TRC
CAS: 389-08-2 Chemical Name or Material: Nalidixic acid Formula Weight: 232.0848 InChI Formula: InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) IUPAC Name: 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid Molecular Formula: C12 H12 N2 O3 Molecular Weight (g/mol): 232.24 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: +4°C SMILES: CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12 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
2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-f]quinoxaline, TRC
CAS: 132898-07-8 Chemical Name or Material: 2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-F]quinoxaline Formula Weight: 241.1327 InChI Formula: InChI=1S/C13H15N5/c1-6-5-9-10(16-8(3)7(2)15-9)11-12(6)18(4)13(14)17-11/h5H,1-4H3,(H2,14,17) IUPAC Name: 3,4,7,8-tetramethylimidazo[4,5-f]quinoxalin-2-amine Molecular Formula: C13 H15 N5 Molecular Weight (g/mol): 241.29 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: +4°C SMILES: Cc1cc2nc(C)c(C)nc2c3nc(N)n(C)c13 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
2-Phenylquinazolin-4(3h)-one, TRC
CAS: 1022-45-3 Molecular Formula: C14H10N2O Molecular Weight (g/mol): 222.24 Synonym: 2-Phenyl-4(3H)-quinazolinone IUPAC Name: 2-phenylquinazolin-4-ol SMILES: Oc1nc(nc2ccccc12)c3ccccc3