Isoquinolines and derivatives

N-[2-(3,4-Dihydro-1-oxo-2(1H)-isoquinolinyl)-2-oxoethyl]-N-formyl-cyclohexanecarboxamide, TRC

CAS: 125273-88-3 Molecular Formula: C19 H22 N2 O4 Molecular Weight (g/mol): 342.39 Synonym: N-[2-(3,4-dihydro-1-oxo-2(1H)-isoquinolinyl)-2-oxoethyl]-N-formyl-cyclohexanecarboxamide,Praziquantel RC C (USP) IUPAC Name: N-formyl-N-[2-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]cyclohexanecarboxamide SMILES: O=CN(CC(=O)N1CCc2ccccc2C1=O)C(=O)C3CCCCC3

Thermo Scientific Chemicals Atracurium besylate, 96%

CAS: 64228-81-5 Molecular Formula: C₅₃H₇₂N₂O₁₂·₂C₆H₅O₃S Molecular Weight (g/mol): 1243.49 InChI Key: XXZSQOVSEBAPGS-UHFFFAOYSA-L Synonym: atracurium besylate,atracurium besilate,tracrium,atracurii besilas,besilate d'atracurium,besilato de atracurio,tracrium preservative free,atracurii besilas inn-latin,bw 33a PubChem CID: 47320 ChEBI: CHEBI:2915 IUPAC Name: benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

1,2-Dehydro Reticuline Iodide, TRC

CAS: 21411-21-2 Molecular Formula: C19H22INO4 Molecular Weight (g/mol): 455.29 Synonym: 3,4-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methylisoquinolinium Iodide,1,2-Dehydroreticuline Iodide,3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methylisoquinolinium Iodide SMILES: C[N+]1=C(C2=CC(=C(C=C2CC1)OC)O)CC3=CC(=C(C=C3)OC)O.[I-]

Liensinine, TRC

CAS: 2586-96-1 Molecular Formula: C37H42N2O6 Molecular Weight (g/mol): 610.74 Synonym: 4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinyl]oxy]-Phenol,[R-(R*,R*)]-4-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]-2-[[1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinyl]oxy]-Phenol,4-[[(1R)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinyl]oxy]phenol SMILES: COc1cc2CCN(C)[C@H](Cc3ccc(O)c(Oc4cc5[C@@H](Cc6ccc(O)cc6)N(C)CCc5cc4OC)c3)c2cc1OC

Atracurium Besylate, TRC

CAS: 64228-81-5 Molecular Formula: C53 H72 N2 O12 . 2 C6 H5 O3 S Molecular Weight (g/mol): 1243.48 Synonym: Atracurium besilate,2,2'-[pentane-1,5-diylbis[oxy(3-oxopropane-1,3-diyl)]]bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium] dibenzenesulfonate,Isoquinolinium, 2,2'-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, benzenesulfonate (1:2)Isoquinolinium, 2,2'-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, dibenzenesulfonate (9CI),Atracurium besilate,Atracurium besylate,Atracurium dibesilate,Atracurium dibesylate,BW 33A,Tracrium,Tracur,Wellcome 33A74 IUPAC Name: benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate SMILES: COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC.[O-]S(=O)(=O)c7ccccc7.[O-]S(=O)(=O)c8ccccc8

Dimethisoquin Hydrochloride, TRC

(R)-1,2,3,4,5,6,7,8-Octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline, TRC

CAS: 30356-08-2 Molecular Formula: C17H23NO Molecular Weight (g/mol): 257.37 Synonym: (1R)-1,2,3,4,5,6,7,8-Octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline IUPAC Name: (1S)-1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline SMILES: COc1ccc(C[C@@H]2NCCC3=C2CCCC3)cc1

DL-Laudanosine, TRC

3-Hydroxyisoquinoline, 99%

CAS: 7651-81-2 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00075524 InChI Key: GYPOFOQUZZUVQL-UHFFFAOYSA-N Synonym: 3-hydroxyisoquinoline,isoquinolin-3-ol,isoquinolin-3 2h-one,3-isoquinolinol,2,3-dihydroisoquinolin-3-one,3 2h-isoquinolinone,2h-3-isoquinolone,zlchem 163,3-hydroxy-isoquinoline,3-isoquinolinol 9ci PubChem CID: 2736554 IUPAC Name: 2H-isoquinolin-3-one SMILES: C1=CC2=CC(=O)NC=C2C=C1

Fast Garnet GBC Salt, TRC

CAS: 101-89-3 Molecular Formula: C14H13N4 . HO4S Molecular Weight (g/mol): 334.35 Synonym: Garnet GBC Salt,2-Methyl-4-(o-tolylazo)benzenediazonium Hydrogen Sulfate,4-(o-Tolylazo)-o-toluenediazonium Hydrogen Sulfate (6CI) IUPAC Name: hydrogen sulfate;2-methyl-4-[(E)-(2-methylphenyl)diazenyl]benzenediazonium SMILES: Cc1ccccc1N=Nc2ccc([N+]#N)c(C)c2.OS(=O)(=O)[O-]

Palonosetron-3-ene Hydrochloride, TRC

CAS: 135729-55-4 Molecular Formula: C19 H22 N2 O . Cl H Molecular Weight (g/mol): 330.85 Synonym: 1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,4,5,6-tetrahydro-, hydrochloride (1:1),1H-Benz[de]isoquinolin-1-one, 2-(1-azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro-, monohydrochloride, (S)-,1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,4,5,6-tetrahydro-, monohydrochloride (9CI),2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl] 2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one hydrochloride,RS 25259-007,RS 42358-197 IUPAC Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one;hydrochloride SMILES: Cl.O=C1N(C=C2CCCc3cccc1c23)[C@@H]4CN5CCC4CC5

Mivacurium Chloride (mixture of isomers), TRC

CAS: 106861-44-3 Molecular Formula: C58 H80 N2 O14 . 2 Cl Molecular Weight (g/mol): 1100.17 Synonym: Isoquinolinium, 2,2'-[[(4E)-1,8-dioxo-4-octene-1,8-diyl]bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, chloride (1:2), (1R,1'R)-,Isoquinolinium, 2,2'-[(1,8-dioxo-4-octene-1,8-diyl)bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, dichloride, [R-[R*,R*-(E)]]-,Isoquinolinium, 2,2'-[[(4E)-1,8-dioxo-4-octene-1,8-diyl]bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, dichloride, (1R,1'R)- (9CI),BW B1090U dichloride,BW-B 1090U,Mivacron,Mivacurium chloride,[R-[R*,R*-(E)]]-2,2'-[(1,8-Dioxo-4-octene-1,8-diyl)bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolinium dichloride IUPAC Name: bis[3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate;dichloride SMILES: [Cl-].[Cl-].COc1cc2CC[N+](C)(CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]3(C)CCc4cc(OC)c(OC)cc4[C@H]3Cc5cc(OC)c(OC)c(OC)c5)[C@H](Cc6cc(OC)c(OC)c(OC)c6)c2cc1OC

L-Aspartic Acid 4-tert-Butyl Ester, TRC

CAS: 3057-74-7 Molecular Formula: C8H15NO4 Molecular Weight (g/mol): 189.21 Synonym: L-Aspartic Acid 4-(1,1-Dimethylethyl) Ester,(S)-2-Amino-4-tert-butoxy-4-oxobutanoic Acid,Aspartic Acid beta-tert-Butyl Ester,L-Aspartic Acid beta-tert-Butyl Ester,beta-tert-Butyl L-Aspartate,beta-tert-Butyl Aspartate IUPAC Name: (2S)-2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid SMILES: CC(C)(C)OC(=O)CC(N)C(=O)O

(R)-Laudanosine, TRC

CAS: 85-63-2 Molecular Formula: C21H27NO4 Molecular Weight (g/mol): 357.44 Synonym: (1R)-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline,(R)-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline,1βH-Laudanosine,(-)-Laudanosine,D-(-)-Laudanosine,D-Laudanosine,O-Methyllaudanidine,R-(-)-Laudanosine,l-N-Methyltetrahydropapaverine SMILES: Cl.FC[C@H](N)[C@@H](O)c1ccc(cc1)S(=O)(C)=O

(R,S)-Palonosetron Hydrochloride (90%), TRC

CAS: 135755-51-0 Molecular Formula: C19 H24 N2 O . Cl H Molecular Weight (g/mol): 332.87 Synonym: 1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, hydrochloride (1:1), (3aR)-,1H-Benz[de]isoquinolin-1-one, 2-(1-azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-, monohydrochloride, [S-(R*,S*)]-,1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, monohydrochloride, (3aR)- (9CI),(3aR)-2-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one hydrochloride (1:1),RS 25233-198 IUPAC Name: (3aR)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride SMILES: Cl.O=C1N(C[C@@H]2CCCc3cccc1c23)[C@@H]4CN5CCC4CC5