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Benzopirazoles

Compuestos bicíclicos orgánicos que constan de un benceno fusionado con un pirazol; los anillos de pirazol contienen dos átomos de nitrógeno adyacentes en un anillo de cinco elementos.
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1

3,6-Diiodo-1H-indazol, TRC

CAS: 319472-78-1 Fórmula molecular: C7H4I2N2 Peso molecular (g/mol): 369.93 Sinónimo: 1H-Indazole, 3,6-diiodo- (9CI, ACI),3,6-Diiodo-1H-indazole (ACI),3,6-Diiodo-2H-indazole SMILES: Ic1ccc2c(I)n[nH]c2c1

Sinónimo 1H-Indazole, 3,6-diiodo- (9CI, ACI),3,6-Diiodo-1H-indazole (ACI),3,6-Diiodo-2H-indazole
Fórmula molecular C7H4I2N2
CAS 319472-78-1
Peso molecular (g/mol) 369.93
SMILES Ic1ccc2c(I)n[nH]c2c1
2

7-Hidroxi Granisetrón Hidrocloruro, TRC

CAS: 133841-04-0 Fórmula molecular: C18 H24 N4 O2 . Cl H Peso molecular (g/mol): 364.87 Sinónimo: 1H-Indazole-3-carboxamide, 7-hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, monohydrochloride, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,7-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide hydrochloride,7-Hydroxygranisetron hydrochloride,7-Hydroxy granisetron hydrochloride Nombre IUPAC: 7-hidroxi-1-metil-N-[(1R,5S)-9-metil-9-azabiciclo[3.3.1]nonan-3-il]indazol-3-carboxamida; Cloruro SMILES: Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4c(O)cccc34

Sinónimo 1H-Indazole-3-carboxamide, 7-hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, monohydrochloride, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,7-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide hydrochloride,7-Hydroxygranisetron hydrochloride,7-Hydroxy granisetron hydrochloride
Fórmula molecular C18 H24 N4 O2 . Cl H
CAS 133841-04-0
Peso molecular (g/mol) 364.87
SMILES Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4c(O)cccc34
Nombre IUPAC 7-hidroxi-1-metil-N-[(1R,5S)-9-metil-9-azabiciclo[3.3.1]nonan-3-il]indazol-3-carboxamida; Cloruro
3

Granisetron, TRC

CAS: 109889-09-0 Fórmula molecular: C18 H24 N4 O Peso molecular (g/mol): 312.41 Sinónimo: 1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-,1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo-,1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,BRL 43694,BRL 43964,Granisetron,Kevatril,Sustol,endo-Granisetron Nombre IUPAC: 1-metil-N-[(1S,5R)-9-metil-9-azabiciclo[3.3.1]nonan-3-il]indazol-3-carboxamida SMILES: CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34

Sinónimo 1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-,1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo-,1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,BRL 43694,BRL 43964,Granisetron,Kevatril,Sustol,endo-Granisetron
Fórmula molecular C18 H24 N4 O
CAS 109889-09-0
Peso molecular (g/mol) 312.41
SMILES CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34
Nombre IUPAC 1-metil-N-[(1S,5R)-9-metil-9-azabiciclo[3.3.1]nonan-3-il]indazol-3-carboxamida
4

1-Desmetil Granisetrón (Impureza Granisetrón B), TRC

CAS: 107007-95-4 Fórmula molecular: C17 H22 N4 O Peso molecular (g/mol): 298.38 Sinónimo: Granisetron Hydrochloride Imp. B (EP),N-[(1R,3r,5S)-9-Methyl-9-azabicyclo-[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-Indazole-3-carboxamide,endo-N-(9-Methyl-9-azabicyclo[3.3.1]non-3-yl)-1H-Indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv. Nombre IUPAC: N-[(1R,5S)-9-metil-9-azabiciclo[3.3.1]nonan-3-il]-1H-indazol-3-carboxamida SMILES: CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3n[nH]c4ccccc34

Sinónimo Granisetron Hydrochloride Imp. B (EP),N-[(1R,3r,5S)-9-Methyl-9-azabicyclo-[3.3.1]non-3-yl]-1H-indazole-3-carboxamide,N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-Indazole-3-carboxamide,endo-N-(9-Methyl-9-azabicyclo[3.3.1]non-3-yl)-1H-Indazole-3-carboxamide,9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.
Fórmula molecular C17 H22 N4 O
CAS 107007-95-4
Peso molecular (g/mol) 298.38
SMILES CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3n[nH]c4ccccc34
Nombre IUPAC N-[(1R,5S)-9-metil-9-azabiciclo[3.3.1]nonan-3-il]-1H-indazol-3-carboxamida
5

N,N-DidemetilN,N-dietilo Benzidamina, TRC

CAS: 47448-66-8 Fórmula molecular: C21 H27 N3 O Peso molecular (g/mol): 337.46 Sinónimo: 1-Benzyl-3-[3-(diethylamino)propoxy]-1H-indazole,N,N-Diethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride; Nombre IUPAC: 3-(1-benzilindazol-3-il)oxi-N,N-dietilpropan-1-amina SMILES: CCN(CC)CCCOc1nn(Cc2ccccc2)c3ccccc13

Sinónimo 1-Benzyl-3-[3-(diethylamino)propoxy]-1H-indazole,N,N-Diethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride;
Fórmula molecular C21 H27 N3 O
CAS 47448-66-8
Peso molecular (g/mol) 337.46
SMILES CCN(CC)CCCOc1nn(Cc2ccccc2)c3ccccc13
Nombre IUPAC 3-(1-benzilindazol-3-il)oxi-N,N-dietilpropan-1-amina
6

1,3,5-Pentanetriol, TRC

CAS: 4328-94-3 Fórmula molecular: C5H12O3 Peso molecular (g/mol): 120.15 Nombre IUPAC: Pentano-1,3,5-triol SMILES: OCCC(O)CCO

Fórmula molecular C5H12O3
CAS 4328-94-3
Peso molecular (g/mol) 120.15
SMILES OCCC(O)CCO
Nombre IUPAC Pentano-1,3,5-triol
7

2,3-Dimetil-6-nitro-2H-indazol, TRC

CAS: 444731-73-1 Fórmula molecular: C9 H9 N3 O2 Peso molecular (g/mol): 191.19 Sinónimo: 2H-Indazole, 2,3-dimethyl-6-nitro-,2,3-Dimethyl-6-nitro-2H-indazole Nombre IUPAC: 2,3-dimetil-6-nitroindazol SMILES: Cc1c2ccc(cc2nn1C)[N+](=O)[O-]

Sinónimo 2H-Indazole, 2,3-dimethyl-6-nitro-,2,3-Dimethyl-6-nitro-2H-indazole
Fórmula molecular C9 H9 N3 O2
CAS 444731-73-1
Peso molecular (g/mol) 191.19
SMILES Cc1c2ccc(cc2nn1C)[N+](=O)[O-]
Nombre IUPAC 2,3-dimetil-6-nitroindazol
8

1-Metilindazol-3-Ácido carboxílico (Impureza Granisetrón D), TRC

CAS: 50890-83-0 Fórmula molecular: C9 H8 N2 O2 Peso molecular (g/mol): 176.17 Sinónimo: 1-Methyl-1H-indazole-3-carboxylic acid,Granisetron Hydrochloride Imp. D (EP),1H-Indazole-3-carboxylic acid, 1-methyl-,1-Methylindazole-3-carboxylic acid,3-Carboxy-1-methylindazole Nombre IUPAC: ácido 1-metilindazol-3-carboxílico SMILES: Cn1nc(C(=O)O)c2ccccc12

Sinónimo 1-Methyl-1H-indazole-3-carboxylic acid,Granisetron Hydrochloride Imp. D (EP),1H-Indazole-3-carboxylic acid, 1-methyl-,1-Methylindazole-3-carboxylic acid,3-Carboxy-1-methylindazole
Fórmula molecular C9 H8 N2 O2
CAS 50890-83-0
Peso molecular (g/mol) 176.17
SMILES Cn1nc(C(=O)O)c2ccccc12
Nombre IUPAC ácido 1-metilindazol-3-carboxílico
10

Cloruro de granisetrón, TRC

CAS: 107007-99-8 Fórmula molecular: C18 H24 N4 O . Cl H Peso molecular (g/mol): 348.87 Sinónimo: Granisetron Hydrochloride,1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-, hydrochloride (1:1),1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, monohydrochloride, endo-,1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-, monohydrochloride (9CI),9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,BRL 43694A,Granisetron hydrochloride,Kytril Nombre IUPAC: 1-metil-N-[(1S,5R)-9-metil-9-azabiciclo[3.3.1]nonan-3-il]indazol-3-carboxamida; Cloruro SMILES: Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34

Sinónimo Granisetron Hydrochloride,1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-, hydrochloride (1:1),1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, monohydrochloride, endo-,1H-Indazole-3-carboxamide, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-, monohydrochloride (9CI),9-Azabicyclo[3.3.1]nonane, 1H-indazole-3-carboxamide deriv.,BRL 43694A,Granisetron hydrochloride,Kytril
Fórmula molecular C18 H24 N4 O . Cl H
CAS 107007-99-8
Peso molecular (g/mol) 348.87
SMILES Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34
Nombre IUPAC 1-metil-N-[(1S,5R)-9-metil-9-azabiciclo[3.3.1]nonan-3-il]indazol-3-carboxamida; Cloruro
11

exo-Granisetron, TRC

CAS: 1364914-39-5 Fórmula molecular: C18H24N4O Peso molecular (g/mol): 312.41 Sinónimo: exo-N-(9-Methyl-9-azabicyclo[3.3.1]non-3-yl)-1-methyl-1H-indazole-3-carboxamide; SMILES: CN1[C@@H]2CCC[C@H]1C[C@@H](C2)NC(=O)c3nn(C)c4ccccc34

Sinónimo exo-N-(9-Methyl-9-azabicyclo[3.3.1]non-3-yl)-1-methyl-1H-indazole-3-carboxamide;
Fórmula molecular C18H24N4O
CAS 1364914-39-5
Peso molecular (g/mol) 312.41
SMILES CN1[C@@H]2CCC[C@H]1C[C@@H](C2)NC(=O)c3nn(C)c4ccccc34
12

Clorhidrato de desmetil benzidamina, TRC

CAS: 39860-97-4 Fórmula molecular: C18H22ClN3O Peso molecular (g/mol): 331.84 Sinónimo: N-Methyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride,1-Benzyl-3-(3-methylaminopropoxy)-1H-indazole Monohydrochloride; SMILES: CNCCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl

Sinónimo N-Methyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride,1-Benzyl-3-(3-methylaminopropoxy)-1H-indazole Monohydrochloride;
Fórmula molecular C18H22ClN3O
CAS 39860-97-4
Peso molecular (g/mol) 331.84
SMILES CNCCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl
13

N-óxido de benzidamina, TRC

CAS: 36504-71-9 Fórmula molecular: C19H23N3O2 Peso molecular (g/mol): 325.4 Sinónimo: N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine; Nombre IUPAC: 3-(1-benzilindazol-3-il)oxi-N,N-dimetilpropán-1-óxido de amina SMILES: CN(CCCOC1=NN(CC2=CC=CC=C2)C3=CC=CC=C31)(C)=O

Sinónimo N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine;
Fórmula molecular C19H23N3O2
CAS 36504-71-9
Peso molecular (g/mol) 325.4
SMILES CN(CCCOC1=NN(CC2=CC=CC=C2)C3=CC=CC=C31)(C)=O
Nombre IUPAC 3-(1-benzilindazol-3-il)oxi-N,N-dimetilpropán-1-óxido de amina
14

Cloruro de Benzidamina, TRC

CAS: 132-69-4 Fórmula molecular: C19 H23 N3 O . Cl H Peso molecular (g/mol): 345.87 Sinónimo: Benzydamine Hydrochloride,N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine hydrochloride,N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine monohydrochloride,1-Benzyl-3-[3-(dimethylamino)propoxy]-1H-indazole monohydrochloride,1-Benzyl-3-(3-dimethylaminopropoxy)-1H-indazole chloride,1-Benzyl-3-[3-(dimethylamino)propoxy]-1H-indazole hydrochloride,1-Benzyl-3-γ-dimethylaminopropoxy-1H-indazole hydrochloride,AF 864,Afloben,Alcidol,Algiflog,Andolex,Benalgin,Benciflam,Bendaminol,Benflogin,Benzidamine hydrochloride,Benzindamine hydrochloride,Benzydamine hydrochloride,Benzyrin,Difflam,Difflam Cream,Difflam Oral Rinse,Dorinamin,Enzamin,Imotryl,Ririlim,Riripen,Salyzoron,Saniflor,Tamas,Tantum,Verax Nombre IUPAC: 3-(1-benzilindazol-3-il)oxi-N,N-dimetilpropano-1-amina; Cloruro SMILES: Cl.CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13

Sinónimo Benzydamine Hydrochloride,N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine hydrochloride,N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine monohydrochloride,1-Benzyl-3-[3-(dimethylamino)propoxy]-1H-indazole monohydrochloride,1-Benzyl-3-(3-dimethylaminopropoxy)-1H-indazole chloride,1-Benzyl-3-[3-(dimethylamino)propoxy]-1H-indazole hydrochloride,1-Benzyl-3-γ-dimethylaminopropoxy-1H-indazole hydrochloride,AF 864,Afloben,Alcidol,Algiflog,Andolex,Benalgin,Benciflam,Bendaminol,Benflogin,Benzidamine hydrochloride,Benzindamine hydrochloride,Benzydamine hydrochloride,Benzyrin,Difflam,Difflam Cream,Difflam Oral Rinse,Dorinamin,Enzamin,Imotryl,Ririlim,Riripen,Salyzoron,Saniflor,Tamas,Tantum,Verax
Fórmula molecular C19 H23 N3 O . Cl H
CAS 132-69-4
Peso molecular (g/mol) 345.87
SMILES Cl.CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13
Nombre IUPAC 3-(1-benzilindazol-3-il)oxi-N,N-dimetilpropano-1-amina; Cloruro
15

9'-Desmetil Granisetrón, TRC

CAS: 160177-67-3 Fórmula molecular: C17 H22 N4 O Peso molecular (g/mol): 298.38 Sinónimo: Granisetron Hydrochloride Imp. C (EP),N-[(1R,3r,5S)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide,N-(3-endo)-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide,endo-N-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide Nombre IUPAC: N-[(1R,5S)-9-azabiciclo[3.3.1]nonan-3-il]-1-metilindazol-3-carboxamida SMILES: Cn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3)c4ccccc14

Sinónimo Granisetron Hydrochloride Imp. C (EP),N-[(1R,3r,5S)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide,N-(3-endo)-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide,endo-N-9-Azabicyclo[3.3.1]non-3-yl-1-methyl-1H-indazole-3-carboxamide
Fórmula molecular C17 H22 N4 O
CAS 160177-67-3
Peso molecular (g/mol) 298.38
SMILES Cn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3)c4ccccc14
Nombre IUPAC N-[(1R,5S)-9-azabiciclo[3.3.1]nonan-3-il]-1-metilindazol-3-carboxamida