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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

a-Metil-1H-Indazol-4-metanamina, TRC

CAS: 1159511-31-5 Fórmula molecular: C9H11N3 Peso molecular (g/mol): 161.2 Nombre IUPAC: 1-(1H-indazol-4-il)etanol SMILES: CC(N)c1cccc2[nH]ncc12

Fórmula molecular C9H11N3
CAS 1159511-31-5
Peso molecular (g/mol) 161.2
SMILES CC(N)c1cccc2[nH]ncc12
Nombre IUPAC 1-(1H-indazol-4-il)etanol
2

1-Desmetil 2-Metil Granisetrón (Impureza Granisetrón A), TRC

CAS: 127472-42-8 Fórmula molecular: C18 H24 N4 O Peso molecular (g/mol): 312.41 Sinónimo: 2H-Indazole-3-carboxamide, 2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 2H-indazole-3-carboxamide deriv.,2-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide,2-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide Nombre IUPAC: 2-metil-N-[(1R,5S)-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)c3c4ccccc4nn3C

Sinónimo 2H-Indazole-3-carboxamide, 2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo- (9CI),9-Azabicyclo[3.3.1]nonane, 2H-indazole-3-carboxamide deriv.,2-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide,2-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide
Fórmula molecular C18 H24 N4 O
CAS 127472-42-8
Peso molecular (g/mol) 312.41
SMILES CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3c4ccccc4nn3C
Nombre IUPAC 2-metil-N-[(1R,5S)-9-metil-9-azabiciclo[3.3.1]nonan-3-il]indazol-3-carboxamida
3

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
4

Indisetron, TRC

CAS: 141549-75-9 Fórmula molecular: C17H23N5O Peso molecular (g/mol): 313.4 Sinónimo: N-[(7-endo)-3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl]-1H-indazole-3-carboxamide,endo-N-(3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl)-1H-indazole-3-carboxamide Nombre IUPAC: N-[(1S,5R)-3,9-dimetil-3,9-diazabiciclo[3.3.1]nonan-7-il]-1H-indazol-3-carboxamida SMILES: CN1C[C@H]2C[C@H](C[C@@H](C1)N2C)NC(=O)c3n[nH]c4ccccc34

Sinónimo N-[(7-endo)-3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl]-1H-indazole-3-carboxamide,endo-N-(3,9-Dimethyl-3,9-diazabicyclo[3.3.1]non-7-yl)-1H-indazole-3-carboxamide
Fórmula molecular C17H23N5O
CAS 141549-75-9
Peso molecular (g/mol) 313.4
SMILES CN1C[C@H]2C[C@H](C[C@@H](C1)N2C)NC(=O)c3n[nH]c4ccccc34
Nombre IUPAC N-[(1S,5R)-3,9-dimetil-3,9-diazabiciclo[3.3.1]nonan-7-il]-1H-indazol-3-carboxamida
5

N-(2-Cloro-4-pirimidinilo)-2,3-dimetil-2H-indazol-6-amina, TRC

CAS: 444731-74-2 Fórmula molecular: C13 H12 Cl N5 Peso molecular (g/mol): 273.7209 Sinónimo: Pazopanib related,GW 790323X Nombre IUPAC: N-(2-cloropimidina-4-il)-2,3-dimetilindazol-6-amina SMILES: Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C

Sinónimo Pazopanib related,GW 790323X
Fórmula molecular C13 H12 Cl N5
CAS 444731-74-2
Peso molecular (g/mol) 273.7209
SMILES Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C
Nombre IUPAC N-(2-cloropimidina-4-il)-2,3-dimetilindazol-6-amina
6

3-Metil-6-nitroindazol, TRC

CAS: 6494-19-5 Fórmula molecular: C8H7N3O2 Peso molecular (g/mol): 177.16 Sinónimo: 6-Nitro-3-methylindazole,3-Methyl-6-nitro-1H-indazole SMILES: Cc1n[nH]c2cc(ccc12)[N+](=O)[O-]

Sinónimo 6-Nitro-3-methylindazole,3-Methyl-6-nitro-1H-indazole
Fórmula molecular C8H7N3O2
CAS 6494-19-5
Peso molecular (g/mol) 177.16
SMILES Cc1n[nH]c2cc(ccc12)[N+](=O)[O-]
7

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
8

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
9

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
10

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
11

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
12

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
13

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
14

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