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Benzopyrazoles

Organic bicyclic compounds that consist of a benzene fused with a pyrazole; pyrazole rings contain two adjacent nitrogen atoms in a five-membered ring.
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1

1-Desmethyl 2-Methyl Granisetron (Granisetron Impurity A), TRC

CAS: 127472-42-8 Chemical Name or Material: 2-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide Formula Weight: 312.195 InChI Formula: InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)20-22(17)2/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14- IUPAC Name: 2-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide Molecular Formula: C18 H24 N4 O Molecular Weight (g/mol): 312.41 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C SMILES: CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3c4ccccc4nn3C Synonym: 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

Percent Purity >95%
CAS 127472-42-8
Molecular Weight (g/mol) 312.41
InChI Formula InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)20-22(17)2/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-
Chemical Name or Material 2-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-2H-indazole-3-carboxamide
Synonym 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
SMILES CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3c4ccccc4nn3C
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C18 H24 N4 O
IUPAC Name 2-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
Formula Weight 312.195
2

9’-Desmethyl Granisetron, TRC

CAS: 160177-67-3 Chemical Name or Material: N-[(1R,3r,5S)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide Formula Weight: 298.1794 InChI Formula: InChI=1S/C17H22N4O/c1-21-15-8-3-2-7-14(15)16(20-21)17(22)19-13-9-11-5-4-6-12(10-13)18-11/h2-3,7-8,11-13,18H,4-6,9-10H2,1H3,(H,19,22)/t11-,12+,13+ IUPAC Name: N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide Molecular Formula: C17 H22 N4 O Molecular Weight (g/mol): 298.38 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C 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

Percent Purity >95%
CAS 160177-67-3
Molecular Weight (g/mol) 298.38
InChI Formula InChI=1S/C17H22N4O/c1-21-15-8-3-2-7-14(15)16(20-21)17(22)19-13-9-11-5-4-6-12(10-13)18-11/h2-3,7-8,11-13,18H,4-6,9-10H2,1H3,(H,19,22)/t11-,12+,13+
Chemical Name or Material N-[(1R,3r,5S)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide
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
SMILES Cn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3)c4ccccc14
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C17 H22 N4 O
IUPAC Name N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide
Formula Weight 298.1794
3

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

CAS: 444731-74-2 Chemical Name or Material: N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine Formula Weight: 273.0781 InChI Formula: InChI=1S/C13H12ClN5/c1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12/h3-7H,1-2H3,(H,15,16,17) IUPAC Name: N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine Molecular Formula: C13 H12 Cl N5 Molecular Weight (g/mol): 273.7209 Recommended Storage: +4°C SMILES: Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C Synonym: Pazopanib related,GW 790323X

CAS 444731-74-2
Molecular Weight (g/mol) 273.7209
InChI Formula InChI=1S/C13H12ClN5/c1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12/h3-7H,1-2H3,(H,15,16,17)
Chemical Name or Material N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine
Synonym Pazopanib related,GW 790323X
SMILES Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C
Recommended Storage +4°C
Molecular Formula C13 H12 Cl N5
IUPAC Name N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine
Formula Weight 273.0781
4

3-Methyl-6-nitroindazole, TRC

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

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

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

CAS 1159511-31-5
Molecular Weight (g/mol) 161.2
SMILES CC(N)c1cccc2[nH]ncc12
IUPAC Name 1-(1H-indazol-4-yl)ethanamine
Molecular Formula C9H11N3
6

Indisetron, TRC

CAS: 141549-75-9 Molecular Formula: C17H23N5O Molecular Weight (g/mol): 313.4 Synonym: 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 IUPAC Name: N-[(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide SMILES: CN1C[C@H]2C[C@H](C[C@@H](C1)N2C)NC(=O)c3n[nH]c4ccccc34

CAS 141549-75-9
Molecular Weight (g/mol) 313.4
SMILES CN1C[C@H]2C[C@H](C[C@@H](C1)N2C)NC(=O)c3n[nH]c4ccccc34
Synonym 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
IUPAC Name N-[(1S,5R)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
Molecular Formula C17H23N5O
7

7-Hydroxy Granisetron Hydrochloride, TRC

CAS: 133841-04-0 Chemical Name or Material: 7-Hydroxygranisetron hydrochloride Formula Weight: 364.1666 InChI Formula: InChI=1S/C18H24N4O2.ClH/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16;/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24);1H/t11-,12+,13-; IUPAC Name: 7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride Molecular Formula: C18 H24 N4 O2 . Cl H Molecular Weight (g/mol): 364.87 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C 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

Percent Purity >95%
CAS 133841-04-0
Molecular Weight (g/mol) 364.87
InChI Formula InChI=1S/C18H24N4O2.ClH/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16;/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24);1H/t11-,12+,13-;
Chemical Name or Material 7-Hydroxygranisetron hydrochloride
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
SMILES Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4c(O)cccc34
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C18 H24 N4 O2 . Cl H
IUPAC Name 7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
Formula Weight 364.1666
8

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

CAS: 47448-66-8 Chemical Name or Material: 1-Benzyl-3-(3-Diethylamino-Propoxy)-1H-Indazole Formula Weight: 337.2154 InChI Formula: InChI=1S/C21H27N3O/c1-3-23(4-2)15-10-16-25-21-19-13-8-9-14-20(19)24(22-21)17-18-11-6-5-7-12-18/h5-9,11-14H,3-4,10,15-17H2,1-2H3 IUPAC Name: 3-(1-benzylindazol-3-yl)oxy-N,N-diethylpropan-1-amine Molecular Formula: C21 H27 N3 O Molecular Weight (g/mol): 337.46 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C 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;

Percent Purity >95%
CAS 47448-66-8
Molecular Weight (g/mol) 337.46
InChI Formula InChI=1S/C21H27N3O/c1-3-23(4-2)15-10-16-25-21-19-13-8-9-14-20(19)24(22-21)17-18-11-6-5-7-12-18/h5-9,11-14H,3-4,10,15-17H2,1-2H3
Chemical Name or Material 1-Benzyl-3-(3-Diethylamino-Propoxy)-1H-Indazole
Synonym 1-Benzyl-3-[3-(diethylamino)propoxy]-1H-indazole,N,N-Diethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride;
SMILES CCN(CC)CCCOc1nn(Cc2ccccc2)c3ccccc13
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C21 H27 N3 O
IUPAC Name 3-(1-benzylindazol-3-yl)oxy-N,N-diethylpropan-1-amine
Formula Weight 337.2154
9

Granisetron, TRC

CAS: 109889-09-0 Chemical Name or Material: Granisetron Formula Weight: 312.195 InChI Formula: InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14- IUPAC Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide Molecular Formula: C18 H24 N4 O Molecular Weight (g/mol): 312.41 Recommended Storage: -20°C 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

CAS 109889-09-0
Molecular Weight (g/mol) 312.41
InChI Formula InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-
Chemical Name or Material Granisetron
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
SMILES CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34
Recommended Storage -20°C
Molecular Formula C18 H24 N4 O
IUPAC Name 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
Formula Weight 312.195
10

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

CAS: 319472-78-1 Molecular Formula: C7H4I2N2 Molecular Weight (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
Molecular Weight (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
Molecular Formula C7H4I2N2
11

1-Desmethyl Granisetron (Granisetron Impurity B), TRC

CAS: 107007-95-4 Chemical Name or Material: N-[(1R,3r,5S)-9-Methyl-9-azabicyclo-[3.3.1]non-3-yl]-1H-indazole-3-carboxamide Formula Weight: 298.1794 InChI Formula: InChI=1S/C17H22N4O/c1-21-12-5-4-6-13(21)10-11(9-12)18-17(22)16-14-7-2-3-8-15(14)19-20-16/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,20)/t11-,12+,13- IUPAC Name: N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide Molecular Formula: C17 H22 N4 O Molecular Weight (g/mol): 298.38 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: +4°C 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.

Percent Purity >95%
CAS 107007-95-4
Molecular Weight (g/mol) 298.38
InChI Formula InChI=1S/C17H22N4O/c1-21-12-5-4-6-13(21)10-11(9-12)18-17(22)16-14-7-2-3-8-15(14)19-20-16/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,20)/t11-,12+,13-
Chemical Name or Material N-[(1R,3r,5S)-9-Methyl-9-azabicyclo-[3.3.1]non-3-yl]-1H-indazole-3-carboxamide
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.
SMILES CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3n[nH]c4ccccc34
Recommended Storage +4°C
Purity Grade Notes HPLC
Molecular Formula C17 H22 N4 O
IUPAC Name N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide
Formula Weight 298.1794
12

1,3,5-Pentanetriol, TRC

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

CAS 4328-94-3
Molecular Weight (g/mol) 120.15
SMILES OCCC(O)CCO
IUPAC Name pentane-1,3,5-triol
Molecular Formula C5H12O3
13

Demethyl Benzydamine Hydrochloride, TRC

CAS: 39860-97-4 Chemical Name or Material: Demethyl Benzydamine Hydrochloride InChI Formula: InChI=1S/C18H21N3O.ClH/c1-19-12-7-13-22-18-16-10-5-6-11-17(16)21(20-18)14-15-8-3-2-4-9-15;/h2-6,8-11,19H,7,12-14H2,1H3;1H Molecular Formula: C18H22ClN3O Molecular Weight (g/mol): 331.84 Recommended Storage: +4°C 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;

CAS 39860-97-4
Molecular Weight (g/mol) 331.84
InChI Formula InChI=1S/C18H21N3O.ClH/c1-19-12-7-13-22-18-16-10-5-6-11-17(16)21(20-18)14-15-8-3-2-4-9-15;/h2-6,8-11,19H,7,12-14H2,1H3;1H
Chemical Name or Material Demethyl Benzydamine Hydrochloride
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
Recommended Storage +4°C
Molecular Formula C18H22ClN3O
14

Granisetron Hydrochloride, TRC

CAS: 107007-99-8 Chemical Name or Material: Granisetron Hydrochloride Formula Weight: 348.1717 InChI Formula: InChI=1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H/t12-,13+,14-; IUPAC Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride Molecular Formula: C18 H24 N4 O . Cl H Molecular Weight (g/mol): 348.87 Recommended Storage: -20°C 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

CAS 107007-99-8
Molecular Weight (g/mol) 348.87
InChI Formula InChI=1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H/t12-,13+,14-;
Chemical Name or Material Granisetron Hydrochloride
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
SMILES Cl.CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3nn(C)c4ccccc34
Recommended Storage -20°C
Molecular Formula C18 H24 N4 O . Cl H
IUPAC Name 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
Formula Weight 348.1717
15

exo-Granisetron, TRC

CAS: 1364914-39-5 Chemical Name or Material: exo-Granisetron (Granisetron Impurity F) InChI Formula: InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+ Molecular Formula: C18H24N4O Molecular Weight (g/mol): 312.41 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C 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;

Percent Purity >95%
CAS 1364914-39-5
Molecular Weight (g/mol) 312.41
InChI Formula InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+
Chemical Name or Material exo-Granisetron (Granisetron Impurity F)
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
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C18H24N4O