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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

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
2

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
3

Olaquindox, TRC

CAS: 23696-28-8 Fórmula molecular: C12 H13 N3 O4 Peso molecular (g/mol): 263.25 Sinónimo: 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide,Bayernox,BayoNox,Bisergon,NSC 634933,Olaquindox Nombre IUPAC: N-(2-hidroxietil)-3-metil-1,4-dioxidoquinoxalina-1,4-diio-2-carboxamida SMILES: Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]

Sinónimo 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide,Bayernox,BayoNox,Bisergon,NSC 634933,Olaquindox
Fórmula molecular C12 H13 N3 O4
CAS 23696-28-8
Peso molecular (g/mol) 263.25
SMILES Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]
Nombre IUPAC N-(2-hidroxietil)-3-metil-1,4-dioxidoquinoxalina-1,4-diio-2-carboxamida
4

Dihidrocloruro de Vatalanib, TRC

CAS: 212141-51-0 Fórmula molecular: C20 H15 Cl N4 . 2 Cl H Peso molecular (g/mol): 419.73 Sinónimo: 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, hydrochloride (1:2),1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, dihydrochloride (9CI),Vatalanib dihydrochloride Nombre IUPAC: N-(4-clorofenil)-4-(piridina-4-ilmetil)ftalazina-1-amina; Dihidrocloruro SMILES: Cl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1

Sinónimo 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, hydrochloride (1:2),1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, dihydrochloride (9CI),Vatalanib dihydrochloride
Fórmula molecular C20 H15 Cl N4 . 2 Cl H
CAS 212141-51-0
Peso molecular (g/mol) 419.73
SMILES Cl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1
Nombre IUPAC N-(4-clorofenil)-4-(piridina-4-ilmetil)ftalazina-1-amina; Dihidrocloruro
5

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
6

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
7

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
8

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
9

Azadiradiono (~90%), TRC

CAS: 26241-51-0 Fórmula molecular: C28 H34 O5 Peso molecular (g/mol): 450.57 Sinónimo: (5α,7α,13α,17α)-7-(Acetyloxy)-21,23-epoxy-4,4,8-trimethyl-24-norchola-1,14,20,22-tetraene-3,16-dione Nombre IUPAC: [(5R,7R,8R,9R,10R,13S,17R)-17-(3-furil)-4,4,8,10,13-pentametil-3,16-dioxo-6,7,9,11,12,17-hexahidro-5H-ciclopenta[a]fenantotra-7-il] acetato SMILES: CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)C=C4[C@]13C)c5cocc5

Sinónimo (5α,7α,13α,17α)-7-(Acetyloxy)-21,23-epoxy-4,4,8-trimethyl-24-norchola-1,14,20,22-tetraene-3,16-dione
Fórmula molecular C28 H34 O5
CAS 26241-51-0
Peso molecular (g/mol) 450.57
SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)C=C4[C@]13C)c5cocc5
Nombre IUPAC [(5R,7R,8R,9R,10R,13S,17R)-17-(3-furil)-4,4,8,10,13-pentametil-3,16-dioxo-6,7,9,11,12,17-hexahidro-5H-ciclopenta[a]fenantotra-7-il] acetato
10

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
11

Sulfato de oftasina, TRC

CAS: 7327-87-9 Fórmula molecular: C8 H10 N6 . H2 O4 S Peso molecular (g/mol): 288.28 Sinónimo: Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1),1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) (9CI),Phthalazine, 1,4-dihydrazino-, sulfate (1:1) (8CI),1,4-Dihydrazinophthalazine sulfate,Depressan,Dihydralazine sulfate,Dihydrazinophthalazine sulfate,Dihyzin Nombre IUPAC: (Z)-[(4Z)-4-hidrazilideno-2,3-dihidroftalazina-1-ilideno]hidrazina; Ácido sulfúrico SMILES: N\N=C\1/NN\C(=N/N)\c2ccccc12.OS(=O)(=O)O

Sinónimo Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1),1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) (9CI),Phthalazine, 1,4-dihydrazino-, sulfate (1:1) (8CI),1,4-Dihydrazinophthalazine sulfate,Depressan,Dihydralazine sulfate,Dihydrazinophthalazine sulfate,Dihyzin
Fórmula molecular C8 H10 N6 . H2 O4 S
CAS 7327-87-9
Peso molecular (g/mol) 288.28
SMILES N\N=C\1/NN\C(=N/N)\c2ccccc12.OS(=O)(=O)O
Nombre IUPAC (Z)-[(4Z)-4-hidrazilideno-2,3-dihidroftalazina-1-ilideno]hidrazina; Ácido sulfúrico
12

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
13

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
14

2-Ethenil-3,4-dihidroquinazolina-4-una, TRC

CAS: 91634-12-7 Fórmula molecular: C10H8N2O Peso molecular (g/mol): 172.18 Nombre IUPAC: 2-etinil-3H-quinazolina-4-una SMILES: Oc1nc(C=C)nc2ccccc12

Fórmula molecular C10H8N2O
CAS 91634-12-7
Peso molecular (g/mol) 172.18
SMILES Oc1nc(C=C)nc2ccccc12
Nombre IUPAC 2-etinil-3H-quinazolina-4-una