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Isoquinolines and derivatives

Aromatic heterocyclic organic compounds that consist of a benzene ring fused to a pyridine ring; they are structural isomers of quinoline. Includes compounds that are derived from isoquinolines.
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Keyword Search:
1 – 15 of 31 results
1

Oxyberberin, TRC

CAS: 549-21-3 Molecular Formula: C20 H17 N O5 Molecular Weight (g/mol): 351.35 Synonym: 8H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizin-8-one, 5,6-dihydro-9,10-dimethoxy-,Berbin-8-one, 13,13a-didehydro-9,10-dimethoxy-2,3-(methylenedioxy)- (8CI),Oxyberberine (6CI),8-Oxoberberine,8-Oxyberberine,Berberin-8-one,Berlambine,JKL 1073A,NSC 93138 SMILES: O=C1C=2C(OC)=C(OC)C=CC2C=C3C4=CC=5OCOC5C=C4CCN13

CAS 549-21-3
Molecular Weight (g/mol) 351.35
SMILES O=C1C=2C(OC)=C(OC)C=CC2C=C3C4=CC=5OCOC5C=C4CCN13
Synonym 8H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizin-8-one, 5,6-dihydro-9,10-dimethoxy-,Berbin-8-one, 13,13a-didehydro-9,10-dimethoxy-2,3-(methylenedioxy)- (8CI),Oxyberberine (6CI),8-Oxoberberine,8-Oxyberberine,Berberin-8-one,Berlambine,JKL 1073A,NSC 93138
Molecular Formula C20 H17 N O5
2

Drotaveraldine, TRC

CAS: 54088-62-9 Molecular Formula: C24H29NO5 Molecular Weight (g/mol): 411.49 Synonym: Methanone, (6,7-diethoxy-3,4-dihydro-1-isoquinolinyl)(3,4-diethoxyphenyl)-,(6,7-Diethoxy-3,4-dihydro-1-isoquinolinyl)(3,4-diethoxyphenyl)methanone,Dihydroperparaldine,Drotaveraldine SMILES: CCOc1ccc(cc1OCC)C(=O)C2=NCCc3cc(OCC)c(OCC)cc23

CAS 54088-62-9
Molecular Weight (g/mol) 411.49
SMILES CCOc1ccc(cc1OCC)C(=O)C2=NCCc3cc(OCC)c(OCC)cc23
Synonym Methanone, (6,7-diethoxy-3,4-dihydro-1-isoquinolinyl)(3,4-diethoxyphenyl)-,(6,7-Diethoxy-3,4-dihydro-1-isoquinolinyl)(3,4-diethoxyphenyl)methanone,Dihydroperparaldine,Drotaveraldine
Molecular Formula C24H29NO5
3

Papaverine, TRC

CAS: 58-74-2 Molecular Formula: C20 H21 N O4 Molecular Weight (g/mol): 339.38 Synonym: Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-,Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI),1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline,6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline,6,7-Dimethoxy-1-veratrylisoquinoline,NSC 136630,Papaverin,Papaverine IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline SMILES: COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC

CAS 58-74-2
Molecular Weight (g/mol) 339.38
SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
Synonym Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-,Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI),1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline,6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline,6,7-Dimethoxy-1-veratrylisoquinoline,NSC 136630,Papaverin,Papaverine
IUPAC Name 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Molecular Formula C20 H21 N O4
4

Papaveraldine, TRC

CAS: 522-57-6 Molecular Formula: C20 H19 N O5 Molecular Weight (g/mol): 353.3 Synonym: NSC 94266,Papaveraldin,6,7-Dimethoxy-1-veratroylisoquinoline; IUPAC Name: (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone SMILES: COc1ccc(cc1OC)C(=O)c2nccc3cc(OC)c(OC)cc23

CAS 522-57-6
Molecular Weight (g/mol) 353.3
SMILES COc1ccc(cc1OC)C(=O)c2nccc3cc(OC)c(OC)cc23
Synonym NSC 94266,Papaveraldin,6,7-Dimethoxy-1-veratroylisoquinoline;
IUPAC Name (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone
Molecular Formula C20 H19 N O5
5

Mollugin, TRC

CAS: 55481-88-4 Molecular Formula: C17 H16 O4 Molecular Weight (g/mol): 284.31 Synonym: 6-Hydroxy-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5-carboxylic acid methyl ester,Rubimaillin IUPAC Name: methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate SMILES: COC(=O)c1c(O)c2ccccc2c3OC(C)(C)C=Cc13

CAS 55481-88-4
Molecular Weight (g/mol) 284.31
SMILES COC(=O)c1c(O)c2ccccc2c3OC(C)(C)C=Cc13
Synonym 6-Hydroxy-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5-carboxylic acid methyl ester,Rubimaillin
IUPAC Name methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
Molecular Formula C17 H16 O4
6

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

CAS 2586-96-1
Molecular Weight (g/mol) 610.74
SMILES COc1cc2CCN(C)[C@H](Cc3ccc(O)c(Oc4cc5[C@@H](Cc6ccc(O)cc6)N(C)CCc5cc4OC)c3)c2cc1OC
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
Molecular Formula C37H42N2O6
7

Ethaverine, TRC

CAS: 486-47-5 Molecular Formula: C24 H29 N O4 Molecular Weight (g/mol): 395.49 Synonym: 1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline,Perparine,1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline,6,7-Diethoxy-1-(3,4-diethoxybenzyl)isoquinoline,Barbonin,Barbonine,Dyscural,Ethylpapaverine,Ethylpapaverine IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline SMILES: CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC

CAS 486-47-5
Molecular Weight (g/mol) 395.49
SMILES CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC
Synonym 1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline,Perparine,1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline,6,7-Diethoxy-1-(3,4-diethoxybenzyl)isoquinoline,Barbonin,Barbonine,Dyscural,Ethylpapaverine,Ethylpapaverine
IUPAC Name 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline
Molecular Formula C24 H29 N O4
9

IPI 145, TRC

CAS: 1201438-56-3 Molecular Formula: C22 H17 Cl N6 O Molecular Weight (g/mol): 416.86 Synonym: 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-,8-Chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-1(2H)-isoquinolinone,Copiktra,Duvelisib,INK 1197,IPI 145 IUPAC Name: 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]isoquinolin-1-one SMILES: C[C@H](Nc1ncnc2[nH]cnc12)C3=Cc4cccc(Cl)c4C(=O)N3c5ccccc5

CAS 1201438-56-3
Molecular Weight (g/mol) 416.86
SMILES C[C@H](Nc1ncnc2[nH]cnc12)C3=Cc4cccc(Cl)c4C(=O)N3c5ccccc5
Synonym 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-,8-Chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-1(2H)-isoquinolinone,Copiktra,Duvelisib,INK 1197,IPI 145
IUPAC Name 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]isoquinolin-1-one
Molecular Formula C22 H17 Cl N6 O
10

(S)-Laudanosine, TRC

CAS: 2688-77-9 Molecular Formula: C21H27NO4 Molecular Weight (g/mol): 357.44 Synonym: (1S)-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline,Laudanosine,(+)-Laudanosine,(S)-(+)-Laudanosine,(S)-Laudanosine,L-(+)-Laudanosine,L-Laudanosine,(+)-Laudanosine,,NSC 35045,O-Methylcodamine; SMILES: CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC

CAS 2688-77-9
Molecular Weight (g/mol) 357.44
SMILES CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC
Synonym (1S)-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline,Laudanosine,(+)-Laudanosine,(S)-(+)-Laudanosine,(S)-Laudanosine,L-(+)-Laudanosine,L-Laudanosine,(+)-Laudanosine,,NSC 35045,O-Methylcodamine;
Molecular Formula C21H27NO4
11

Higenamine Hydrochloride, TRC

CAS: 11041-94-4 Molecular Formula: C16 H17 N O3 . Cl H Molecular Weight (g/mol): 307.77 Synonym: 1-(4-Hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrochloride IUPAC Name: 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride SMILES: Cl.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1

CAS 11041-94-4
Molecular Weight (g/mol) 307.77
SMILES Cl.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
Synonym 1-(4-Hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrochloride
IUPAC Name 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
Molecular Formula C16 H17 N O3 . Cl H
12

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

CAS 64228-81-5
Molecular Weight (g/mol) 1243.48
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
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
Molecular Formula C53 H72 N2 O12 . 2 C6 H5 O3 S
13

Norlaudanosoline Hydrobromide, TRC

CAS: 16659-88-4 Molecular Formula: C16 H17 N O4 . Br H Molecular Weight (g/mol): 368.22 Synonym: 1-[(3,4-Dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydrobromide (1:1),1-(3,4-Dihydroxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydrobromide,1(±)-Tetrahydropapaveroline Hydrobromide,NSC 118071,Tetrahydropapaveroline Bromide,Tetrahydropapaveroline Hydrobromide IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide SMILES: Br.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O

CAS 16659-88-4
Molecular Weight (g/mol) 368.22
SMILES Br.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
Synonym 1-[(3,4-Dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydrobromide (1:1),1-(3,4-Dihydroxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydrobromide,1(±)-Tetrahydropapaveroline Hydrobromide,NSC 118071,Tetrahydropapaveroline Bromide,Tetrahydropapaveroline Hydrobromide
IUPAC Name 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
Molecular Formula C16 H17 N O4 . Br H
14

(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

CAS 85-63-2
Molecular Weight (g/mol) 357.44
SMILES Cl.FC[C@H](N)[C@@H](O)c1ccc(cc1)S(=O)(C)=O
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
Molecular Formula C21H27NO4
15

(-)-Coclaurine Hydrochloride, TRC

CAS: 3422-42-2 Molecular Formula: C17H20ClNO3 Molecular Weight (g/mol): 321.8 Synonym: 1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol IUPAC Name: (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride SMILES: COC1=C(C=C2C(=C1)CCN[C@H]2CC3=CC=C(C=C3)O)O.Cl

CAS 3422-42-2
Molecular Weight (g/mol) 321.8
SMILES COC1=C(C=C2C(=C1)CCN[C@H]2CC3=CC=C(C=C3)O)O.Cl
Synonym 1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol
IUPAC Name (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride
Molecular Formula C17H20ClNO3