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Benzopyrazole

Organische bizyklische Verbindungen, die aus einem mit einem Pyrazol fusionierten Benzol bestehen; Pyrazolringe enthalten zwei benachbarte Stickstoffatome in einem fünfgliedrigen Ring.
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1

3-Methyl-6-nitroindazole, TRC

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

CAS 6494-19-5
Molekulargewicht (g/mol) 177.16
SMILES Cc1n[nH]c2cc(ccc12)[N+](=O)[O-]
Synonym 6-Nitro-3-methylindazole,3-Methyl-6-nitro-1H-indazole
Summenformel C8H7N3O2
2

a-Methyl-1H-Indazole-4-methanamine, TRC

CAS: 1159511-31-5 Summenformel: C9H11N3 Molekulargewicht (g/mol): 161.2 IUPAC-Name: 1-(1H-indazol-4-yl)ethanamine SMILES: CC(N)c1cccc2[nH]ncc12

IUPAC-Name 1-(1H-indazol-4-yl)ethanamine
CAS 1159511-31-5
Molekulargewicht (g/mol) 161.2
SMILES CC(N)c1cccc2[nH]ncc12
Summenformel C9H11N3
3

N-(2-Chloro-4-pyrimidinyl)-2,3-dimethyl-2H-indazol-6-amine, TRC

CAS: 444731-74-2 Summenformel: C13 H12 Cl N5 Molekulargewicht (g/mol): 273.7209 Synonym: Pazopanib related,GW 790323X IUPAC-Name: N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine SMILES: Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C

IUPAC-Name N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine
CAS 444731-74-2
Molekulargewicht (g/mol) 273.7209
SMILES Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C
Synonym Pazopanib related,GW 790323X
Summenformel C13 H12 Cl N5
4

9’-Desmethyl Granisetron, TRC

CAS: 160177-67-3 Summenformel: C17 H22 N4 O Molekulargewicht (g/mol): 298.38 Synonym: 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 IUPAC-Name: N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide SMILES: Cn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3)c4ccccc14

IUPAC-Name N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide
CAS 160177-67-3
Molekulargewicht (g/mol) 298.38
SMILES Cn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3)c4ccccc14
Synonym 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
Summenformel C17 H22 N4 O
5

7-Hydroxy Granisetron Hydrochloride, TRC

CAS: 133841-04-0 Summenformel: C18 H24 N4 O2 . Cl H Molekulargewicht (g/mol): 364.87 Synonym: 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 IUPAC-Name: 7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride SMILES: Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4c(O)cccc34

IUPAC-Name 7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CAS 133841-04-0
Molekulargewicht (g/mol) 364.87
SMILES Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4c(O)cccc34
Synonym 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
Summenformel C18 H24 N4 O2 . Cl H
6

Granisetron, TRC

CAS: 109889-09-0 Summenformel: C18 H24 N4 O Molekulargewicht (g/mol): 312.41 Synonym: 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 IUPAC-Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide SMILES: CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34

IUPAC-Name 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CAS 109889-09-0
Molekulargewicht (g/mol) 312.41
SMILES CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34
Synonym 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
Summenformel C18 H24 N4 O
7

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

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

CAS 319472-78-1
Molekulargewicht (g/mol) 369.93
SMILES Ic1ccc2c(I)n[nH]c2c1
Synonym 1H-Indazole, 3,6-diiodo- (9CI, ACI),3,6-Diiodo-1H-indazole (ACI),3,6-Diiodo-2H-indazole
Summenformel C7H4I2N2
8

N,N-DidemethylN,N-diethyl Benzydamine, TRC

CAS: 47448-66-8 Summenformel: C21 H27 N3 O Molekulargewicht (g/mol): 337.46 Synonym: 1-Benzyl-3-[3-(diethylamino)propoxy]-1H-indazole,N,N-Diethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride; IUPAC-Name: 3-(1-benzylindazol-3-yl)oxy-N,N-diethylpropan-1-amine SMILES: CCN(CC)CCCOc1nn(Cc2ccccc2)c3ccccc13

IUPAC-Name 3-(1-benzylindazol-3-yl)oxy-N,N-diethylpropan-1-amine
CAS 47448-66-8
Molekulargewicht (g/mol) 337.46
SMILES CCN(CC)CCCOc1nn(Cc2ccccc2)c3ccccc13
Synonym 1-Benzyl-3-[3-(diethylamino)propoxy]-1H-indazole,N,N-Diethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride;
Summenformel C21 H27 N3 O
9

1-Desmethyl Granisetron (Granisetron Impurity B), TRC

CAS: 107007-95-4 Summenformel: C17 H22 N4 O Molekulargewicht (g/mol): 298.38 Synonym: 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. IUPAC-Name: N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide SMILES: CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3n[nH]c4ccccc34

IUPAC-Name N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide
CAS 107007-95-4
Molekulargewicht (g/mol) 298.38
SMILES CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3n[nH]c4ccccc34
Synonym 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.
Summenformel C17 H22 N4 O
10

1,3,5-Pentanetriol, TRC

CAS: 4328-94-3 Summenformel: C5H12O3 Molekulargewicht (g/mol): 120.15 IUPAC-Name: pentane-1,3,5-triol SMILES: OCCC(O)CCO

IUPAC-Name pentane-1,3,5-triol
CAS 4328-94-3
Molekulargewicht (g/mol) 120.15
SMILES OCCC(O)CCO
Summenformel C5H12O3
11

exo-Granisetron, TRC

CAS: 1364914-39-5 Summenformel: C18H24N4O Molekulargewicht (g/mol): 312.41 Synonym: 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

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

Granisetron Hydrochloride, TRC

CAS: 107007-99-8 Summenformel: C18 H24 N4 O . Cl H Molekulargewicht (g/mol): 348.87 Synonym: 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 IUPAC-Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride SMILES: Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34

IUPAC-Name 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CAS 107007-99-8
Molekulargewicht (g/mol) 348.87
SMILES Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34
Synonym 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
Summenformel C18 H24 N4 O . Cl H
13

Demethyl Benzydamine Hydrochloride, TRC

CAS: 39860-97-4 Summenformel: C18H22ClN3O Molekulargewicht (g/mol): 331.84 Synonym: 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

CAS 39860-97-4
Molekulargewicht (g/mol) 331.84
SMILES CNCCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl
Synonym N-Methyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride,1-Benzyl-3-(3-methylaminopropoxy)-1H-indazole Monohydrochloride;
Summenformel C18H22ClN3O
14

Benzydamine N-Oxide, TRC

CAS: 36504-71-9 Summenformel: C19H23N3O2 Molekulargewicht (g/mol): 325.4 Synonym: N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine; IUPAC-Name: 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine oxide SMILES: CN(CCCOC1=NN(CC2=CC=CC=C2)C3=CC=CC=C31)(C)=O

IUPAC-Name 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine oxide
CAS 36504-71-9
Molekulargewicht (g/mol) 325.4
SMILES CN(CCCOC1=NN(CC2=CC=CC=C2)C3=CC=CC=C31)(C)=O
Synonym N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine;
Summenformel C19H23N3O2
15

Benzydamine Hydrochloride, TRC

CAS: 132-69-4 Summenformel: C19 H23 N3 O . Cl H Molekulargewicht (g/mol): 345.87 Synonym: 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 IUPAC-Name: 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride SMILES: Cl.CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13

IUPAC-Name 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride
CAS 132-69-4
Molekulargewicht (g/mol) 345.87
SMILES Cl.CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13
Synonym 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
Summenformel C19 H23 N3 O . Cl H