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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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1 – 15 of 25 results
1

1,8-Naphthalimide, 98%

CAS: 81-83-4 Molecular Formula: C12H7NO2 Molecular Weight (g/mol): 197.193 MDL Number: MFCD00006920 InChI Key: XJHABGPPCLHLLV-UHFFFAOYSA-N Synonym: 1,8-naphthalimide,naphthalimide,1h-benz de isoquinoline-1,3 2h-dione,1h-benzo de isoquinoline-1,3 2h-dione,1,8-naphthalenedicarboximide,benzo de isoquinoline-1,3-dione,unii-gi0tv19gbn,naphthalene-1,8-dicarboximide,gi0tv19gbn PubChem CID: 66491 IUPAC Name: benzo[de]isoquinoline-1,3-dione SMILES: C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC=C2

PubChem CID 66491
CAS 81-83-4
Molecular Weight (g/mol) 197.193
MDL Number MFCD00006920
SMILES C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC=C2
Synonym 1,8-naphthalimide,naphthalimide,1h-benz de isoquinoline-1,3 2h-dione,1h-benzo de isoquinoline-1,3 2h-dione,1,8-naphthalenedicarboximide,benzo de isoquinoline-1,3-dione,unii-gi0tv19gbn,naphthalene-1,8-dicarboximide,gi0tv19gbn
IUPAC Name benzo[de]isoquinoline-1,3-dione
InChI Key XJHABGPPCLHLLV-UHFFFAOYSA-N
Molecular Formula C12H7NO2
2

4-Amino-1,8-naphthalimide, 95%

CAS: 1742-95-6 Molecular Formula: C12H8N2O2 Molecular Weight (g/mol): 212.21 MDL Number: MFCD00006921 InChI Key: SSMIFVHARFVINF-UHFFFAOYSA-N Synonym: 4-amino-1,8-naphthalimide,4-aminonaphthalimide,6-amino-benzo de isoquinoline-1,3-dione,6-amino-1h-benzo de isoquinoline-1,3 2h-dione,4-aminonaphthalene-1,8-dicarboximide,naphthalimide, 4-amino,dfp 1,1h-benz de isoquinoline-1,3 2h-dione, 6-amino,6-aminobenzo de isoquinoline-1,3-dione,parp inhibitor v, 4-ani PubChem CID: 1720 ChEBI: CHEBI:40071 SMILES: NC1=C2C=CC=C3C(=O)NC(=O)C(C=C1)=C23

PubChem CID 1720
CAS 1742-95-6
Molecular Weight (g/mol) 212.21
ChEBI CHEBI:40071
MDL Number MFCD00006921
SMILES NC1=C2C=CC=C3C(=O)NC(=O)C(C=C1)=C23
Synonym 4-amino-1,8-naphthalimide,4-aminonaphthalimide,6-amino-benzo de isoquinoline-1,3-dione,6-amino-1h-benzo de isoquinoline-1,3 2h-dione,4-aminonaphthalene-1,8-dicarboximide,naphthalimide, 4-amino,dfp 1,1h-benz de isoquinoline-1,3 2h-dione, 6-amino,6-aminobenzo de isoquinoline-1,3-dione,parp inhibitor v, 4-ani
InChI Key SSMIFVHARFVINF-UHFFFAOYSA-N
Molecular Formula C12H8N2O2
3

Papaverine hydrochloride, 99%

CAS: 61-25-6 Molecular Formula: C20H21NO4·ClH Molecular Weight (g/mol): 375.85 MDL Number: MFCD00012745 InChI Key: UOTMYNBWXDUBNX-UHFFFAOYSA-N Synonym: papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan PubChem CID: 6084 IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride SMILES: COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl

PubChem CID 6084
CAS 61-25-6
Molecular Weight (g/mol) 375.85
MDL Number MFCD00012745
SMILES COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Synonym papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan
IUPAC Name 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride
InChI Key UOTMYNBWXDUBNX-UHFFFAOYSA-N
Molecular Formula C20H21NO4·ClH
4

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

PubChem CID 2736554
CAS 7651-81-2
Molecular Weight (g/mol) 145.161
MDL Number MFCD00075524
SMILES C1=CC2=CC(=O)NC=C2C=C1
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
IUPAC Name 2H-isoquinolin-3-one
InChI Key GYPOFOQUZZUVQL-UHFFFAOYSA-N
Molecular Formula C9H7NO
5

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-]

PubChem CID 47320
CAS 64228-81-5
Molecular Weight (g/mol) 1243.49
ChEBI CHEBI:2915
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-]
Synonym atracurium besylate,atracurium besilate,tracrium,atracurii besilas,besilate d'atracurium,besilato de atracurio,tracrium preservative free,atracurii besilas inn-latin,bw 33a
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
InChI Key XXZSQOVSEBAPGS-UHFFFAOYSA-L
Molecular Formula C53H72N2O12·2C6H5O3S
6

3,4,9,10-Perylenetetracarboxylic diimide

CAS: 81-33-4 Molecular Formula: C24H10N2O4 Molecular Weight (g/mol): 390.354 MDL Number: MFCD00024144 InChI Key: KJOLVZJFMDVPGB-UHFFFAOYSA-N Synonym: perylimid,3,4,9,10-perylenetetracarboxylic diimide,perylenediimide,3,4,9,10-perylenetetracarboxylic acid diimide,perylene-3,4:9,10-tetracarboxydiimide,unii-63nli8842l,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetrone,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetraone,isoquino 4',5',6':6,5,10 anthra 2,1,9-def isoquinoline-1,3,8,10 2h,9h-tetrone PubChem CID: 66475 ChEBI: CHEBI:52753 SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O

PubChem CID 66475
CAS 81-33-4
Molecular Weight (g/mol) 390.354
ChEBI CHEBI:52753
MDL Number MFCD00024144
SMILES C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O
Synonym perylimid,3,4,9,10-perylenetetracarboxylic diimide,perylenediimide,3,4,9,10-perylenetetracarboxylic acid diimide,perylene-3,4:9,10-tetracarboxydiimide,unii-63nli8842l,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetrone,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetraone,isoquino 4',5',6':6,5,10 anthra 2,1,9-def isoquinoline-1,3,8,10 2h,9h-tetrone
InChI Key KJOLVZJFMDVPGB-UHFFFAOYSA-N
Molecular Formula C24H10N2O4
7

3,4-Dihydro-2H-isoquinolin-1-one, 98%

CAS: 1196-38-9 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 InChI Key: YWPMKTWUFVOFPL-UHFFFAOYSA-N Synonym: 3,4-dihydroisoquinolin-1 2h-one,1,2,3,4-tetrahydroisoquinolin-1-one,1 2h-isoquinolinone, 3,4-dihydro,3,4-dihydroisocarbostyril,1-oxo-1,2,3,4-tetrahydroisoquinoline,3,4-dihydro-1 2h-isoquinolinone,3,4-dihydro-1h-isoquinolin-1-one,dihydroisoquinolone,3nuu,1-keto-1,2,3,4-tetrahydroisoquinoline PubChem CID: 150896 IUPAC Name: 3,4-dihydro-2H-isoquinolin-1-one SMILES: C1CNC(=O)C2=CC=CC=C21

PubChem CID 150896
CAS 1196-38-9
Molecular Weight (g/mol) 147.18
SMILES C1CNC(=O)C2=CC=CC=C21
Synonym 3,4-dihydroisoquinolin-1 2h-one,1,2,3,4-tetrahydroisoquinolin-1-one,1 2h-isoquinolinone, 3,4-dihydro,3,4-dihydroisocarbostyril,1-oxo-1,2,3,4-tetrahydroisoquinoline,3,4-dihydro-1 2h-isoquinolinone,3,4-dihydro-1h-isoquinolin-1-one,dihydroisoquinolone,3nuu,1-keto-1,2,3,4-tetrahydroisoquinoline
IUPAC Name 3,4-dihydro-2H-isoquinolin-1-one
InChI Key YWPMKTWUFVOFPL-UHFFFAOYSA-N
Molecular Formula C9H9NO
8

7-Bromo-1-hydroxyisoquinoline, 97%

CAS: 223671-15-6 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD02093963 InChI Key: DSOKREQUHLPVFR-UHFFFAOYSA-N PubChem CID: 11276133 IUPAC Name: 7-bromo-2H-isoquinolin-1-one SMILES: C1=CC(=CC2=C1C=CNC2=O)Br

PubChem CID 11276133
CAS 223671-15-6
Molecular Weight (g/mol) 224.057
MDL Number MFCD02093963
SMILES C1=CC(=CC2=C1C=CNC2=O)Br
IUPAC Name 7-bromo-2H-isoquinolin-1-one
InChI Key DSOKREQUHLPVFR-UHFFFAOYSA-N
Molecular Formula C9H6BrNO
9

Isocarbostyril, 98%

CAS: 491-30-5 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 InChI Key: VDBNYAPERZTOOF-UHFFFAOYSA-N Synonym: 1-hydroxyisoquinoline,isoquinolin-1 2h-one,isocarbostyril,1-isoquinolinol,1 2h-isoquinolinone,isoquinolin-1-ol,isoquinolin-1-one,1 2h-isoquinolone,1-hydroxyisoquinolin,isoquinolinol PubChem CID: 10284 ChEBI: CHEBI:18350 IUPAC Name: 2H-isoquinolin-1-one SMILES: C1=CC=C2C(=C1)C=CNC2=O

PubChem CID 10284
CAS 491-30-5
Molecular Weight (g/mol) 145.16
ChEBI CHEBI:18350
SMILES C1=CC=C2C(=C1)C=CNC2=O
Synonym 1-hydroxyisoquinoline,isoquinolin-1 2h-one,isocarbostyril,1-isoquinolinol,1 2h-isoquinolinone,isoquinolin-1-ol,isoquinolin-1-one,1 2h-isoquinolone,1-hydroxyisoquinolin,isoquinolinol
IUPAC Name 2H-isoquinolin-1-one
InChI Key VDBNYAPERZTOOF-UHFFFAOYSA-N
Molecular Formula C9H7NO
10

Palmitoleic acid, >99%, MP Biomedicals™

CAS: 61-25-6 Molecular Formula: C20H22ClNO4 Molecular Weight (g/mol): 375.849 InChI Key: UOTMYNBWXDUBNX-UHFFFAOYSA-N Synonym: papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan PubChem CID: 6084 IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride SMILES: COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl

PubChem CID 6084
CAS 61-25-6
Molecular Weight (g/mol) 375.849
SMILES COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Synonym papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan
IUPAC Name 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride
InChI Key UOTMYNBWXDUBNX-UHFFFAOYSA-N
Molecular Formula C20H22ClNO4
11

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-]

CAS 101-89-3
Molecular Weight (g/mol) 334.35
SMILES Cc1ccccc1N=Nc2ccc([N+]#N)c(C)c2.OS(=O)(=O)[O-]
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
Molecular Formula C14H13N4 . HO4S
12

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-]

CAS 21411-21-2
Molecular Weight (g/mol) 455.29
SMILES C[N+]1=C(C2=CC(=C(C=C2CC1)OC)O)CC3=CC(=C(C=C3)OC)O.[I-]
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
Molecular Formula C19H22INO4
13

Liensinine, TRC

CAS: 2586-96-1 Chemical Name or Material: Liensinine InChI Formula: InChI=1S/C37H42N2O6/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1 Molecular Formula: C37H42N2O6 Molecular Weight (g/mol): 610.74 Recommended Storage: -20°C 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

CAS 2586-96-1
Molecular Weight (g/mol) 610.74
InChI Formula InChI=1S/C37H42N2O6/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
Chemical Name or Material Liensinine
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
Recommended Storage -20°C
Molecular Formula C37H42N2O6
14

Mollugin, TRC

CAS: 55481-88-4 Chemical Name or Material: Mollugin Formula Weight: 284.1049 InChI Formula: InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3 IUPAC Name: methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate Molecular Formula: C17 H16 O4 Molecular Weight (g/mol): 284.31 Recommended Storage: 4°C 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

CAS 55481-88-4
Molecular Weight (g/mol) 284.31
InChI Formula InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
Chemical Name or Material Mollugin
Synonym 6-Hydroxy-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5-carboxylic acid methyl ester,Rubimaillin
SMILES COC(=O)c1c(O)c2ccccc2c3OC(C)(C)C=Cc13
Recommended Storage 4°C
Molecular Formula C17 H16 O4
IUPAC Name methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
Formula Weight 284.1049