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Diazanaftalenos

Compuestos heterocíclicos orgánicos que constan de un anillo doble de naftaleno en el que dos de los átomos de carbono han sido reemplazados por átomos de nitrógeno.
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1

7-Cloro-6-fluoro-1-(2,4-difluorofenilo)-1,4-dihidro-4-oxo-1,8-naftiridina-3-carboxílico Éster Etílico, TRC

CAS: 100491-29-0 Fórmula molecular: C17H10ClF3N2O3 Peso molecular (g/mol): 382.72 Sinónimo: 7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester,Ethyl 1-(2,4-Difluorophenyl)-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate Nombre IUPAC: Etil 7-cloro-1-(2,4-difluorofenil)-6-fluoro-4-oxo-1,8-naftiridina-3-carboxilato SMILES: CCOC(=O)C1=CN(c2ccc(F)cc2F)c3nc(Cl)c(F)cc3C1=O

Sinónimo 7-Chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid Ethyl Ester,Ethyl 1-(2,4-Difluorophenyl)-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
Fórmula molecular C17H10ClF3N2O3
CAS 100491-29-0
Peso molecular (g/mol) 382.72
SMILES CCOC(=O)C1=CN(c2ccc(F)cc2F)c3nc(Cl)c(F)cc3C1=O
Nombre IUPAC Etil 7-cloro-1-(2,4-difluorofenil)-6-fluoro-4-oxo-1,8-naftiridina-3-carboxilato
2

Carbadox (grado técnico), TRC

CAS: 6804-07-5 Fórmula molecular: C11 H10 N4 O4 Peso molecular (g/mol): 262.22 Sinónimo: 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 Nombre IUPAC: metilo N-[(E)-(1,4-dioxidoquinoxalina-1,4-diio-2-il)metilideneamino]carbamato SMILES: COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-]

Sinónimo 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
Fórmula molecular C11 H10 N4 O4
CAS 6804-07-5
Peso molecular (g/mol) 262.22
SMILES COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-]
Nombre IUPAC metilo N-[(E)-(1,4-dioxidoquinoxalina-1,4-diio-2-il)metilideneamino]carbamato
3

N-Desmetil Azelastina, TRC

CAS: 47491-38-3 Fórmula molecular: C21 H22 Cl N3 O Peso molecular (g/mol): 367.87 Sinónimo: 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-,4-[(4-Chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-1(2H)-phthalazinone,Demethylazelastine,Desmethylazelastine,N-Desmethyl Azelastine,N-Desmethylazelastine Nombre IUPAC: 2-(azepán-4-il)-4-[(4-clorofenil)metil]ftalazina-1-una SMILES: Clc1ccc(CC2=NN(C3CCCNCC3)C(=O)c4ccccc24)cc1

Sinónimo 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-,4-[(4-Chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-1(2H)-phthalazinone,Demethylazelastine,Desmethylazelastine,N-Desmethyl Azelastine,N-Desmethylazelastine
Fórmula molecular C21 H22 Cl N3 O
CAS 47491-38-3
Peso molecular (g/mol) 367.87
SMILES Clc1ccc(CC2=NN(C3CCCNCC3)C(=O)c4ccccc24)cc1
Nombre IUPAC 2-(azepán-4-il)-4-[(4-clorofenil)metil]ftalazina-1-una
4

Quinocetona, TRC

CAS: 81810-66-4 Fórmula molecular: C18 H14 N2 O3 Peso molecular (g/mol): 306.32 Sinónimo: 2-Propen-1-one, 1-(3-methyl-2-quinoxalinyl)-3-phenyl-, N,N'-dioxide,1-(3-Methyl-1,4-dioxido-2-quinoxalinyl)-3-phenyl-2-propen-1-one,NSC 621477,Quinocetone Nombre IUPAC: (E)-1-(3-metil-1,4-dioxidoquinoxalina-1,4-diio-2-il)-3-fenilprop-2-en-1-one SMILES: Cc1c(C(=O)\C=C\c2ccccc2)[n+]([O-])c3ccccc3[n+]1[O-]

Sinónimo 2-Propen-1-one, 1-(3-methyl-2-quinoxalinyl)-3-phenyl-, N,N'-dioxide,1-(3-Methyl-1,4-dioxido-2-quinoxalinyl)-3-phenyl-2-propen-1-one,NSC 621477,Quinocetone
Fórmula molecular C18 H14 N2 O3
CAS 81810-66-4
Peso molecular (g/mol) 306.32
SMILES Cc1c(C(=O)\C=C\c2ccccc2)[n+]([O-])c3ccccc3[n+]1[O-]
Nombre IUPAC (E)-1-(3-metil-1,4-dioxidoquinoxalina-1,4-diio-2-il)-3-fenilprop-2-en-1-one
5

2-Fenilquinazolina-4(3h)-una, TRC

CAS: 1022-45-3 Fórmula molecular: C14H10N2O Peso molecular (g/mol): 222.24 Sinónimo: 2-Phenyl-4(3H)-quinazolinone Nombre IUPAC: 2-fenilquinazolina-4-ol SMILES: Oc1nc(nc2ccccc12)c3ccccc3

Sinónimo 2-Phenyl-4(3H)-quinazolinone
Fórmula molecular C14H10N2O
CAS 1022-45-3
Peso molecular (g/mol) 222.24
SMILES Oc1nc(nc2ccccc12)c3ccccc3
Nombre IUPAC 2-fenilquinazolina-4-ol
7

4-[(4-Clorofenil)metilo]-1(2H)-ftalazinona, TRC

CAS: 53242-88-9 Fórmula molecular: C15 H11 Cl N2 O Peso molecular (g/mol): 270.71 Sinónimo: 4-(4-Chlorobenzyl)phthalazin-1(2H)-one,Azelastine Hydrochloride Imp. D (EP) Nombre IUPAC: 4-[(4-clorofenil)metil]-2H-ftalazina-1-una SMILES: Clc1ccc(CC2=NNC(=O)c3ccccc23)cc1

Sinónimo 4-(4-Chlorobenzyl)phthalazin-1(2H)-one,Azelastine Hydrochloride Imp. D (EP)
Fórmula molecular C15 H11 Cl N2 O
CAS 53242-88-9
Peso molecular (g/mol) 270.71
SMILES Clc1ccc(CC2=NNC(=O)c3ccccc23)cc1
Nombre IUPAC 4-[(4-clorofenil)metil]-2H-ftalazina-1-una
8

Enoxacina, TRC

CAS: 74011-58-8 Fórmula molecular: C15 H17 F N4 O3 Peso molecular (g/mol): 320.32 Sinónimo: 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) Nombre IUPAC: 1-etil-6-fluoro-4-oxo-7-piperazina-1-il-1,8-naftiridina-3-carboxílico SMILES: CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3

Sinónimo 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)
Fórmula molecular C15 H17 F N4 O3
CAS 74011-58-8
Peso molecular (g/mol) 320.32
SMILES CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3
Nombre IUPAC 1-etil-6-fluoro-4-oxo-7-piperazina-1-il-1,8-naftiridina-3-carboxílico
9

Ácido Nalidexico, TRC

CAS: 389-08-2 Fórmula molecular: C12 H12 N2 O3 Peso molecular (g/mol): 232.24 Sinónimo: 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 Nombre IUPAC: Ácido 1-etil-7-metil-4-oxo-1,8-naftiridina-3-carboxílico SMILES: CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12

Sinónimo 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
Fórmula molecular C12 H12 N2 O3
CAS 389-08-2
Peso molecular (g/mol) 232.24
SMILES CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12
Nombre IUPAC Ácido 1-etil-7-metil-4-oxo-1,8-naftiridina-3-carboxílico
10

Gefitinib, TRC

CAS: 184475-35-2 Fórmula molecular: C22 H24 Cl F N4 O3 Peso molecular (g/mol): 446.9 Nombre IUPAC: N-(3-cloro-4-fluorofenil)-7-metaxi-6-(3-morfolina 4-ilpropoxi)quinazolina-4-amina SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4

Fórmula molecular C22 H24 Cl F N4 O3
CAS 184475-35-2
Peso molecular (g/mol) 446.9
SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4
Nombre IUPAC N-(3-cloro-4-fluorofenil)-7-metaxi-6-(3-morfolina 4-ilpropoxi)quinazolina-4-amina
11

Vandetanib, TRC

CAS: 443913-73-3 Fórmula molecular: C22 H24 Br F N4 O2 Peso molecular (g/mol): 475.35 Sinónimo: 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 Nombre IUPAC: N-(4-bromo-2-fluorofenil)-6-metoxi-7-[(1-metilpiperidin-4-il)metoxi]quinazolin-4-amina SMILES: COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4

Sinónimo 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
Fórmula molecular C22 H24 Br F N4 O2
CAS 443913-73-3
Peso molecular (g/mol) 475.35
SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
Nombre IUPAC N-(4-bromo-2-fluorofenil)-6-metoxi-7-[(1-metilpiperidin-4-il)metoxi]quinazolin-4-amina
12

2-Amino-3,4,7,8-tetrametil-3H-imidazo[4,5-f]quinoxalina, TRC

CAS: 132898-07-8 Fórmula molecular: C13 H15 N5 Peso molecular (g/mol): 241.29 Sinónimo: 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 Nombre IUPAC: 3,4,7,8-tetrametilimidazo[4,5-f]quinoxalina-2-amina SMILES: Cc1cc2nc(C)c(C)nc2c3nc(N)n(C)c13

Sinónimo 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
Fórmula molecular C13 H15 N5
CAS 132898-07-8
Peso molecular (g/mol) 241.29
SMILES Cc1cc2nc(C)c(C)nc2c3nc(N)n(C)c13
Nombre IUPAC 3,4,7,8-tetrametilimidazo[4,5-f]quinoxalina-2-amina
13

6-cloro-2-metoxiquinoxalina, TRC

CAS: 104152-39-8 Fórmula molecular: C9H7ClN2O Peso molecular (g/mol): 194.62 Sinónimo: 6-Chloro-2-methoxyquinoxaline Nombre IUPAC: 6-cloro-2-metoxiquinoxalina SMILES: COc1cnc2cc(Cl)ccc2n1

Sinónimo 6-Chloro-2-methoxyquinoxaline
Fórmula molecular C9H7ClN2O
CAS 104152-39-8
Peso molecular (g/mol) 194.62
SMILES COc1cnc2cc(Cl)ccc2n1
Nombre IUPAC 6-cloro-2-metoxiquinoxalina
14

Desoxicarbadox, TRC

CAS: 55456-55-8 Fórmula molecular: C11 H10 N4 O2 Peso molecular (g/mol): 230.2227 Sinónimo: Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester (9CI),Desoxycarbadox,Methyl 3-(2-quinoxalinylmethylene)carbazate Nombre IUPAC: metil-[(E)-quinoxalina-2-ilmetilideneamino]carbamato SMILES: COC(=O)N\N=C\c1cnc2ccccc2n1

Sinónimo Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester (9CI),Desoxycarbadox,Methyl 3-(2-quinoxalinylmethylene)carbazate
Fórmula molecular C11 H10 N4 O2
CAS 55456-55-8
Peso molecular (g/mol) 230.2227
SMILES COC(=O)N\N=C\c1cnc2ccccc2n1
Nombre IUPAC metil-[(E)-quinoxalina-2-ilmetilideneamino]carbamato
15

Clorhidrato de Azelastina, TRC

CAS: 79307-93-0 Fórmula molecular: C22 H24 Cl N3 O . Cl H Peso molecular (g/mol): 418.36 Sinónimo: 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 Nombre IUPAC: 4-[(4-clorofenil)metil]-2-(1-metilazapán-4-il)ftalazina-1-una; Cloruro SMILES: Cl.CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O

Sinónimo 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
Fórmula molecular C22 H24 Cl N3 O . Cl H
CAS 79307-93-0
Peso molecular (g/mol) 418.36
SMILES Cl.CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
Nombre IUPAC 4-[(4-clorofenil)metil]-2-(1-metilazapán-4-il)ftalazina-1-una; Cloruro