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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

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
3

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
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

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
6

(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
7

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
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
10

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
11

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
12

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
13

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
14

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
15

Carbadox, 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