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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

Luminol, TRC

CAS: 521-31-3 Fórmula molecular: C8 H7 N3 O2 Peso molecular (g/mol): 177.16 Sinónimo: 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 Nombre IUPAC: 5-amino-2,3-dihidroftalacina-1,4-diona SMILES: Nc1cccc2C(=O)NNC(=O)c12

Sinónimo 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
Fórmula molecular C8 H7 N3 O2
CAS 521-31-3
Peso molecular (g/mol) 177.16
SMILES Nc1cccc2C(=O)NNC(=O)c12
Nombre IUPAC 5-amino-2,3-dihidroftalacina-1,4-diona
2

4,5-Didehydro Brimonidina, TRC

CAS: 151110-15-5 Fórmula molecular: C11 H8 Br N5 Peso molecular (g/mol): 290.1187 Sinónimo: 5-Bromo-N-1H-imidazol-2-yl-6-quinoxalinamine,5-Bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine,Brimonidine EP Impurity F Nombre IUPAC: 5-bromo-N-(1H-imidazol-2-il)quinoxalina-6-amina SMILES: Brc1c(Nc2ncc[nH]2)ccc3nccnc13

Sinónimo 5-Bromo-N-1H-imidazol-2-yl-6-quinoxalinamine,5-Bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine,Brimonidine EP Impurity F
Fórmula molecular C11 H8 Br N5
CAS 151110-15-5
Peso molecular (g/mol) 290.1187
SMILES Brc1c(Nc2ncc[nH]2)ccc3nccnc13
Nombre IUPAC 5-bromo-N-(1H-imidazol-2-il)quinoxalina-6-amina
3

Quinoxalina, TRC

CAS: 91-19-0 Fórmula molecular: C8H6N2 Peso molecular (g/mol): 130.15 Sinónimo: 1,4-Benzodiazine,1,4-Diazanaphthalene,1,4-Naphthyridine,Benzo[a]pyrazine,Benzoparadiazine,Benzopyrazine,Phenopiazine,Phenpiazine,Quinazine Nombre IUPAC: quinoxalina SMILES: c1ccc2nccnc2c1

Sinónimo 1,4-Benzodiazine,1,4-Diazanaphthalene,1,4-Naphthyridine,Benzo[a]pyrazine,Benzoparadiazine,Benzopyrazine,Phenopiazine,Phenpiazine,Quinazine
Fórmula molecular C8H6N2
CAS 91-19-0
Peso molecular (g/mol) 130.15
SMILES c1ccc2nccnc2c1
Nombre IUPAC quinoxalina
4

3-(Fenilmetil)-2-[(1E)-2-(3-piridinil)etinilo]-4(3H)-quinazolinona, TRC

CAS: 1290541-46-6 Fórmula molecular: C12 H17 N3 O6 Peso molecular (g/mol): 299.28 Sinónimo: BO 2 Nombre IUPAC: etil 4-amino-1-[(2R,4S,5R)-4-hidroxi-5-(hidroximetil)oxolán-2-il]-2-oxopirimidina-5-carboxilato SMILES: CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N

Sinónimo BO 2
Fórmula molecular C12 H17 N3 O6
CAS 1290541-46-6
Peso molecular (g/mol) 299.28
SMILES CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N
Nombre IUPAC etil 4-amino-1-[(2R,4S,5R)-4-hidroxi-5-(hidroximetil)oxolán-2-il]-2-oxopirimidina-5-carboxilato
5

2-quinoxalinecarboxaldehído, TRC

CAS: 1593-08-4 Fórmula molecular: C9H6N2O Peso molecular (g/mol): 158.16 Sinónimo: 2-Formylquinoxaline,Quinoxalin-2-carboxaldehyde Nombre IUPAC: quinoxalin-2-carbaldehído SMILES: O=Cc1cnc2ccccc2n1

Sinónimo 2-Formylquinoxaline,Quinoxalin-2-carboxaldehyde
Fórmula molecular C9H6N2O
CAS 1593-08-4
Peso molecular (g/mol) 158.16
SMILES O=Cc1cnc2ccccc2n1
Nombre IUPAC quinoxalin-2-carbaldehído
6

6,7-Dimetoxiquinazolina-2,4-diona, TRC

CAS: 28888-44-0 Fórmula molecular: C10 H10 N2 O4 Peso molecular (g/mol): 222.2 Sinónimo: 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione,Doxazosin Mesilate Imp. D (EP),2,4(1H,3H)-Quinazolinedione, 6,7-dimethoxy-,6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione,2,5-Dihydroxy-6,7-dimethoxyquinazoline,6,7-Dimethoxy-1H-quinazoline-2,4-dione,6,7-Dimethoxyquinazoline-2,4-diol,6,7-Dimethoxyquinazoline-2,4-dione Nombre IUPAC: 6,7-dimetil-1H-quinazolina-2,4-diona SMILES: COc1cc2NC(=O)NC(=O)c2cc1OC

Sinónimo 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione,Doxazosin Mesilate Imp. D (EP),2,4(1H,3H)-Quinazolinedione, 6,7-dimethoxy-,6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione,2,5-Dihydroxy-6,7-dimethoxyquinazoline,6,7-Dimethoxy-1H-quinazoline-2,4-dione,6,7-Dimethoxyquinazoline-2,4-diol,6,7-Dimethoxyquinazoline-2,4-dione
Fórmula molecular C10 H10 N2 O4
CAS 28888-44-0
Peso molecular (g/mol) 222.2
SMILES COc1cc2NC(=O)NC(=O)c2cc1OC
Nombre IUPAC 6,7-dimetil-1H-quinazolina-2,4-diona
7

6-Iodoquinazolina-4-1, TRC

CAS: 16064-08-7 Fórmula molecular: C8H5IN2O Peso molecular (g/mol): 272.05 Sinónimo: 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

Sinónimo 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
Fórmula molecular C8H5IN2O
CAS 16064-08-7
Peso molecular (g/mol) 272.05
SMILES Ic1ccc2NC=NC(=O)c2c1
8

Clorhidrato de hidralazina, TRC

CAS: 304-20-1 Fórmula molecular: C8 H8 N4 . Cl H Peso molecular (g/mol): 196.64 Sinónimo: Hydralazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1(2H)-Phthalazinone, hydrazone, monohydrochloride,Phthalazine, 1-hydrazino-, monohydrochloride,(Phthalazin-1-yl)hydrazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1-Hydrazinophthalazine monohydrochloride,Apresoline hydrochloride,Apulon,Hydralazine chloride,Hydralazine hydrochloride,Hydralazine monohydrochloride,Lopres Nombre IUPAC: ftalacin-1-ilhidracina; clorhidrato

Sinónimo Hydralazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1(2H)-Phthalazinone, hydrazone, monohydrochloride,Phthalazine, 1-hydrazino-, monohydrochloride,(Phthalazin-1-yl)hydrazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1-Hydrazinophthalazine monohydrochloride,Apresoline hydrochloride,Apulon,Hydralazine chloride,Hydralazine hydrochloride,Hydralazine monohydrochloride,Lopres
Fórmula molecular C8 H8 N4 . Cl H
CAS 304-20-1
Peso molecular (g/mol) 196.64
Nombre IUPAC ftalacin-1-ilhidracina; clorhidrato
9

O-Desmorfoolinopropil Gefitinib, TRC

CAS: 184475-71-6 Fórmula molecular: C15 H11 Cl F N3 O2 Peso molecular (g/mol): 319.72 Sinónimo: 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-,4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol,4-(3-Chloro-4-fluoroanilino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol,N-(3-Chloro-4-fluorophenyl)-6-hydroxy-7-methoxyquinazolin-4-amine,O-Desmorpholinopropyl Gefitinib Nombre IUPAC: 4-(3-cloro-4-fluoroanilino)-7-metoxiquinazolina-6-ol SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O

Sinónimo 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-,4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol,4-(3-Chloro-4-fluoroanilino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol,N-(3-Chloro-4-fluorophenyl)-6-hydroxy-7-methoxyquinazolin-4-amine,O-Desmorpholinopropyl Gefitinib
Fórmula molecular C15 H11 Cl F N3 O2
CAS 184475-71-6
Peso molecular (g/mol) 319.72
SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O
Nombre IUPAC 4-(3-cloro-4-fluoroanilino)-7-metoxiquinazolina-6-ol
10

Cinoxacina, TRC

CAS: 28657-80-9 Fórmula molecular: C12 H10 N2 O5 Peso molecular (g/mol): 262.22 Sinónimo: [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 Nombre IUPAC: 1-etil-4-oxo-[1,3]dioxolo[4,5-g]cinnolina-3-carboxílico ácido SMILES: CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12

Sinónimo [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
Fórmula molecular C12 H10 N2 O5
CAS 28657-80-9
Peso molecular (g/mol) 262.22
SMILES CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12
Nombre IUPAC 1-etil-4-oxo-[1,3]dioxolo[4,5-g]cinnolina-3-carboxílico ácido
11

Halofuginone Hidrobromuro, TRC

CAS: 64924-67-0 Fórmula molecular: C16 H17 Br Cl N3 O3 . Br H Peso molecular (g/mol): 495.59 Sinónimo: 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-(±)-,4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-, monohydrobromide, rel- (9CI),4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-,Halofuginone hydrobromide,RU 19110,Stenorol Nombre IUPAC: 7-bromo-6-cloro-3-[3-[(2S,3R)-3-hidroxipiperidina-2-il]-2-oxopropil]quinazolina-4-una; Hidrobromuro SMILES: Br.O[C@@H]1CCCN[C@H]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O

Sinónimo 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-(±)-,4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-, monohydrobromide, rel- (9CI),4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-,Halofuginone hydrobromide,RU 19110,Stenorol
Fórmula molecular C16 H17 Br Cl N3 O3 . Br H
CAS 64924-67-0
Peso molecular (g/mol) 495.59
SMILES Br.O[C@@H]1CCCN[C@H]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O
Nombre IUPAC 7-bromo-6-cloro-3-[3-[(2S,3R)-3-hidroxipiperidina-2-il]-2-oxopropil]quinazolina-4-una; Hidrobromuro
12

Lapatinib, TRC

CAS: 231277-92-2 Fórmula molecular: C29 H26 Cl F N4 O4 S Peso molecular (g/mol): 581.06 Sinónimo: 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine,4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline,GSK 572016,GW 572016,GW 572016X,Lapatinib,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methanesulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine,N-[4-(3-Fluorobenzyloxy)-3-chlorophenyl]-6-[5-[[2-(methylsulfonyl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine,Tyverb Nombre IUPAC: N-[3-cloro-4-[(3-fluorofenil)metoxi]fenilo]-6-[5-[(2-metilsulfoniletilamino)metilfurano-2-il]quinazolina-4-amina SMILES: CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2

Sinónimo 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine,4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline,GSK 572016,GW 572016,GW 572016X,Lapatinib,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methanesulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine,N-[4-(3-Fluorobenzyloxy)-3-chlorophenyl]-6-[5-[[2-(methylsulfonyl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine,Tyverb
Fórmula molecular C29 H26 Cl F N4 O4 S
CAS 231277-92-2
Peso molecular (g/mol) 581.06
SMILES CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2
Nombre IUPAC N-[3-cloro-4-[(3-fluorofenil)metoxi]fenilo]-6-[5-[(2-metilsulfoniletilamino)metilfurano-2-il]quinazolina-4-amina
13

Afatinib-des(4-dimetilamino-2-en-1-oxo)butil (Contiene ~8,5% etanol), TRC

CAS: 314771-76-1 Fórmula molecular: C18H16ClFN4O2 Peso molecular (g/mol): 374.8 Sinónimo: N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine,(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine,Des(4-dimethylamino-2-en-1-oxo)butyl Afatinib Nombre IUPAC: 4-N-(3-cloro-4-fluorofenil)-7-[(3S)-oxoxolán-3-il]oxiquinazolina-4,6-diamina SMILES: ClC1=C(F)C=CC(NC2=NC=NC3=CC(O[C@H]4CCOC4)=C(N)C=C32)=C1

Sinónimo N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine,(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine,Des(4-dimethylamino-2-en-1-oxo)butyl Afatinib
Fórmula molecular C18H16ClFN4O2
CAS 314771-76-1
Peso molecular (g/mol) 374.8
SMILES ClC1=C(F)C=CC(NC2=NC=NC3=CC(O[C@H]4CCOC4)=C(N)C=C32)=C1
Nombre IUPAC 4-N-(3-cloro-4-fluorofenil)-7-[(3S)-oxoxolán-3-il]oxiquinazolina-4,6-diamina
15

Ditosilato de Lapatinib, TRC

CAS: 388082-77-7 Fórmula molecular: C29 H26 Cl F N4 O4 S . 2 C7 H8 O3 S Peso molecular (g/mol): 925.46 Sinónimo: 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 Nombre IUPAC: N-[3-cloro-4-[(3-fluorofenil)metoxi]fenil]-6-[5-[(2-metilsulfoniletilamino)metilfurano-2-il]quinazolina-4-amina; Ácido 4-metilbenzenosulfónico 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

Sinónimo 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
Fórmula molecular C29 H26 Cl F N4 O4 S . 2 C7 H8 O3 S
CAS 388082-77-7
Peso molecular (g/mol) 925.46
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
Nombre IUPAC N-[3-cloro-4-[(3-fluorofenil)metoxi]fenil]-6-[5-[(2-metilsulfoniletilamino)metilfurano-2-il]quinazolina-4-amina; Ácido 4-metilbenzenosulfónico