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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

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
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

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
5

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
6

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
7

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
8

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
9

Erastin, TRC

CAS: 571203-78-6 Fórmula molecular: C30H31ClN4O4 Peso molecular (g/mol): 547.04 Sinónimo: 2-[1-[4-[2-(4-Chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-quinazolinone Nombre IUPAC: 2-(1-(4-(2-(4-(4-clorofenoxi)acetil)piperazina-1-il)etil)-3-(2-etoxifenil)quinazolina-4(3H)-una SMILES: O=C1N(C2=CC=CC=C2OCC)C(C(N3CCN(C(COC4=CC=C(Cl)C=C4)=O)CC3)C)=NC5=C1C=CC=C5

Sinónimo 2-[1-[4-[2-(4-Chlorophenoxy)acetyl]-1-piperazinyl]ethyl]-3-(2-ethoxyphenyl)-4(3H)-quinazolinone
Fórmula molecular C30H31ClN4O4
CAS 571203-78-6
Peso molecular (g/mol) 547.04
SMILES O=C1N(C2=CC=CC=C2OCC)C(C(N3CCN(C(COC4=CC=C(Cl)C=C4)=O)CC3)C)=NC5=C1C=CC=C5
Nombre IUPAC 2-(1-(4-(2-(4-(4-clorofenoxi)acetil)piperazina-1-il)etil)-3-(2-etoxifenil)quinazolina-4(3H)-una
10

Hidrazida ftálica, TRC

CAS: 1445-69-8 Fórmula molecular: C8 H6 N2 O2 Peso molecular (g/mol): 162.15 Sinónimo: 2,3-Dihydro-1,4-phthalazinedione,1,2-Benzenedicarboxylic acid, cyclic hydrazide,1,4-Dihydroxyphthalazine,1,4-Phthalazinediol,4-Hydroxyphthalazin-1(2H)-one,Hydrazine, 1,2-(1,2-phenylenedicarbonyl)-,N,N'-Phthaloylhydrazine,NSC 201511,NSC 651,Phthalazine-1,4(2H,3H)-dione,Phthalhydrazide,Phthalic acid cyclic hydrazide,Phthalocyclohydrazide Nombre IUPAC: 2,3-dihidroftalazina-1,4-diona SMILES: O=C1NNC(=O)c2ccccc12

Sinónimo 2,3-Dihydro-1,4-phthalazinedione,1,2-Benzenedicarboxylic acid, cyclic hydrazide,1,4-Dihydroxyphthalazine,1,4-Phthalazinediol,4-Hydroxyphthalazin-1(2H)-one,Hydrazine, 1,2-(1,2-phenylenedicarbonyl)-,N,N'-Phthaloylhydrazine,NSC 201511,NSC 651,Phthalazine-1,4(2H,3H)-dione,Phthalhydrazide,Phthalic acid cyclic hydrazide,Phthalocyclohydrazide
Fórmula molecular C8 H6 N2 O2
CAS 1445-69-8
Peso molecular (g/mol) 162.15
SMILES O=C1NNC(=O)c2ccccc12
Nombre IUPAC 2,3-dihidroftalazina-1,4-diona
12

(4-Metilquinazolina-2-il)metanol, TRC

CAS: 13535-91-6 Fórmula molecular: C10H10N2O Peso molecular (g/mol): 174.2 Sinónimo: 2-Hydroxymethyl-4-methylquinazoline Nombre IUPAC: (4-metilquinazolina-2-il)metanol SMILES: Cc1nc(CO)nc2ccccc12

Sinónimo 2-Hydroxymethyl-4-methylquinazoline
Fórmula molecular C10H10N2O
CAS 13535-91-6
Peso molecular (g/mol) 174.2
SMILES Cc1nc(CO)nc2ccccc12
Nombre IUPAC (4-metilquinazolina-2-il)metanol
13

Ftalazina, TRC

CAS: 253-52-1 Fórmula molecular: C8 H6 N2 Peso molecular (g/mol): 130.15 Sinónimo: 2,3-Benzodiazine,2,3-Diazanaphthalene,Benzo[d]pyridazine,NSC 62484,NSC 63241,β-Phenodiazine Nombre IUPAC: ftalazina SMILES: c1ccc2cnncc2c1

Sinónimo 2,3-Benzodiazine,2,3-Diazanaphthalene,Benzo[d]pyridazine,NSC 62484,NSC 63241,β-Phenodiazine
Fórmula molecular C8 H6 N2
CAS 253-52-1
Peso molecular (g/mol) 130.15
SMILES c1ccc2cnncc2c1
Nombre IUPAC ftalazina
14

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
15

1-Aminoftalazina, TRC

CAS: 19064-69-8 Fórmula molecular: C8 H7 N3 Peso molecular (g/mol): 145.16 Nombre IUPAC: Ftalazina-1-amina SMILES: Nc1nncc2ccccc12

Fórmula molecular C8 H7 N3
CAS 19064-69-8
Peso molecular (g/mol) 145.16
SMILES Nc1nncc2ccccc12
Nombre IUPAC Ftalazina-1-amina