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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

Fenazina Etosulfato, TRC

CAS: 10510-77-7 Fórmula molecular: C14H13N2 .C2H5O4S Peso molecular (g/mol): 334.4 Sinónimo: N-Ethylphenazinium Ethyl Sulfate,N-Ethylphenazonium Ethyl Sulfate,NSC 402863 Nombre IUPAC: (E)-3-(2,5-dimetilanilino)-1-fenilprop-2-en-1-uno SMILES: Cc1ccc(C)c(N\C=C\C(=O)c2ccccc2)c1

Sinónimo N-Ethylphenazinium Ethyl Sulfate,N-Ethylphenazonium Ethyl Sulfate,NSC 402863
Fórmula molecular C14H13N2 .C2H5O4S
CAS 10510-77-7
Peso molecular (g/mol) 334.4
SMILES Cc1ccc(C)c(N\C=C\C(=O)c2ccccc2)c1
Nombre IUPAC (E)-3-(2,5-dimetilanilino)-1-fenilprop-2-en-1-uno
2

Enoxacina Sesquihidrato, TRC

CAS: 84294-96-2 Fórmula molecular: 2 C15 H17 F N4 O3 . 3 H2 O Peso molecular (g/mol): 694.68 Sinónimo: 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) Nombre IUPAC: 1-etil-6-fluoro-4-oxo-7-piperazina-1-il-1,8-naftiridina-3-carboxílico; trihidrato 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

Sinónimo 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)
Fórmula molecular 2 C15 H17 F N4 O3 . 3 H2 O
CAS 84294-96-2
Peso molecular (g/mol) 694.68
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
Nombre IUPAC 1-etil-6-fluoro-4-oxo-7-piperazina-1-il-1,8-naftiridina-3-carboxílico; trihidrato
3

Cyadox, TRC

CAS: 65884-46-0 Fórmula molecular: C12 H9 N5 O3 Peso molecular (g/mol): 271.23 Sinónimo: 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 Nombre IUPAC: 2-ciano-N-[(E)-(1,4-dioxidoquinoxalina-1,4-diio-2-il)metilideneamino]acetamida SMILES: [O-][n+]1cc(\C=N\NC(=O)CC#N)[n+]([O-])c2ccccc12

Sinónimo 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
Fórmula molecular C12 H9 N5 O3
CAS 65884-46-0
Peso molecular (g/mol) 271.23
SMILES [O-][n+]1cc(\C=N\NC(=O)CC#N)[n+]([O-])c2ccccc12
Nombre IUPAC 2-ciano-N-[(E)-(1,4-dioxidoquinoxalina-1,4-diio-2-il)metilideneamino]acetamida
4

Clofazimina, TRC

CAS: 2030-63-9 Fórmula molecular: C27 H22 Cl2 N4 Peso molecular (g/mol): 473.4 Sinónimo: 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 Nombre IUPAC: N,5-bis(4-clorofenilo)-3-propano-2-iliminofenazina-2-amina SMILES: CC(C)N=C1C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5

Sinónimo 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
Fórmula molecular C27 H22 Cl2 N4
CAS 2030-63-9
Peso molecular (g/mol) 473.4
SMILES CC(C)N=C1C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5
Nombre IUPAC N,5-bis(4-clorofenilo)-3-propano-2-iliminofenazina-2-amina
5

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
6

2,4-Dicloro-6,7-dimetoxiquinazolina, TRC

CAS: 27631-29-4 Fórmula molecular: C10 H8 Cl2 N2 O2 Peso molecular (g/mol): 259.09 Sinónimo: 2,4-Dichloro-6,7-dimethoxyquinazoline,Doxazosin Mesilate Imp. E (EP) Nombre IUPAC: 2,4-dicloro-6,7-dimetoxiquinazolina SMILES: COc1cc2nc(Cl)nc(Cl)c2cc1OC

Sinónimo 2,4-Dichloro-6,7-dimethoxyquinazoline,Doxazosin Mesilate Imp. E (EP)
Fórmula molecular C10 H8 Cl2 N2 O2
CAS 27631-29-4
Peso molecular (g/mol) 259.09
SMILES COc1cc2nc(Cl)nc(Cl)c2cc1OC
Nombre IUPAC 2,4-dicloro-6,7-dimetoxiquinazolina
7

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
8

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
9

Trovafloxacina, TRC

CAS: 147059-72-1 Fórmula molecular: C20H15F3N4O3 Peso molecular (g/mol): 416.35 Sinónimo: 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 Nombre IUPAC: 7-[(1R,5S)-6-amino-3-azabiciclo[3.1.0]hexan-3-il]-1-(2,4-difluorofenilo)-6-fluoro-4-oxo-1,8-naftiridina-3-carboxílico SMILES: N[C@@H]1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(=O)O)C(=O)c4cc3F)c5ccc(F)cc5F

Sinónimo 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
Fórmula molecular C20H15F3N4O3
CAS 147059-72-1
Peso molecular (g/mol) 416.35
SMILES N[C@@H]1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(=O)O)C(=O)c4cc3F)c5ccc(F)cc5F
Nombre IUPAC 7-[(1R,5S)-6-amino-3-azabiciclo[3.1.0]hexan-3-il]-1-(2,4-difluorofenilo)-6-fluoro-4-oxo-1,8-naftiridina-3-carboxílico
10

O-Desmetil Gefitinib, TRC

CAS: 847949-49-9 Fórmula molecular: C21 H22 Cl F N4 O3 Peso molecular (g/mol): 432.88 Sinónimo: 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 Nombre IUPAC: 4-(3-cloro-4-fluoroanilino)-6-(3-morfolina 4-ilpropoxi)quinazolina-7-ol SMILES: Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4

Sinónimo 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
Fórmula molecular C21 H22 Cl F N4 O3
CAS 847949-49-9
Peso molecular (g/mol) 432.88
SMILES Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4
Nombre IUPAC 4-(3-cloro-4-fluoroanilino)-6-(3-morfolina 4-ilpropoxi)quinazolina-7-ol
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

(Z)-gemifloxacina mesilato, TRC

CAS: 210353-53-0 Fórmula molecular: C18 H20 F N5 O4 . C H4 O3 S Peso molecular (g/mol): 485.49 Sinónimo: 1,8-Naphthyridine-3-carboxylic acid, 7-[(4Z)-3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, monomethanesulfonate,Factive,Floxguard,Gemifloxacin mesylate,Gemixa,LB 20304a,SB 265805S,Gemifloxacin Mesilate Nombre IUPAC: 7-[(4Z)-3-(aminometil)-4-metaxiiminopirrolidina-1-il]-1-ciclopropil-6-fluoro-4-oxo-1,8-naftiridina-3-ácido carboxílico; Ácido metanosulfónico SMILES: CO\N=C\1/CN(CC1CN)c2nc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4.CS(=O)(=O)O

Sinónimo 1,8-Naphthyridine-3-carboxylic acid, 7-[(4Z)-3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, monomethanesulfonate,Factive,Floxguard,Gemifloxacin mesylate,Gemixa,LB 20304a,SB 265805S,Gemifloxacin Mesilate
Fórmula molecular C18 H20 F N5 O4 . C H4 O3 S
CAS 210353-53-0
Peso molecular (g/mol) 485.49
SMILES CO\N=C\1/CN(CC1CN)c2nc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4.CS(=O)(=O)O
Nombre IUPAC 7-[(4Z)-3-(aminometil)-4-metaxiiminopirrolidina-1-il]-1-ciclopropil-6-fluoro-4-oxo-1,8-naftiridina-3-ácido carboxílico; Ácido metanosulfónico
14

4-cloro-6-iodoquinazolina, TRC

CAS: 98556-31-1 Fórmula molecular: C8H4ClIN2 Peso molecular (g/mol): 290.49 Sinónimo: 6-Iodo-4-chloroquinazoline Nombre IUPAC: 4-cloro-6-iodoquinazolina SMILES: Clc1ncnc2ccc(I)cc12

Sinónimo 6-Iodo-4-chloroquinazoline
Fórmula molecular C8H4ClIN2
CAS 98556-31-1
Peso molecular (g/mol) 290.49
SMILES Clc1ncnc2ccc(I)cc12
Nombre IUPAC 4-cloro-6-iodoquinazolina
15

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