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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
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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
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

Gliquidone, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

4
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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
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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
8
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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
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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
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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
11

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
12

Norlaudanosine Hydrochloride 98.0+%, TCI America™

CAS: 6429-04-5 Molecular Formula: C20H26ClNO4 Molecular Weight (g/mol): 379.88 MDL Number: MFCD00035267 InChI Key: VMPLLPIDRGXFTQ-UHFFFAOYNA-N Synonym: Tetrahydropapaverine Hydrochloride, 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride PubChem CID: 16667431 IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride SMILES: COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl

PubChem CID 16667431
CAS 6429-04-5
Molecular Weight (g/mol) 379.88
MDL Number MFCD00035267
SMILES COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
Synonym Tetrahydropapaverine Hydrochloride, 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride
IUPAC Name 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI Key VMPLLPIDRGXFTQ-UHFFFAOYNA-N
Molecular Formula C20H26ClNO4
13

N,N'-Bis(2-ethylhexyl)-3,4,9,10-perylenetetracarboxylic Diimide 98.0+%, TCI America™

CAS: 82531-03-1 Molecular Formula: C40H42N2O4 Molecular Weight (g/mol): 614.79 MDL Number: MFCD21362484 InChI Key: WEHOVFLILUDUKQ-UHFFFAOYNA-N Synonym: Plast Orange 8160 PubChem CID: 87272327 IUPAC Name: 7,18-bis(2-ethylhexyl)-7,18-diazaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone SMILES: CCCCC(CC)CN1C(=O)C2=CC=C3C4=CC=C5C(=O)N(CC(CC)CCCC)C(=O)C6=CC=C(C7=CC=C(C1=O)C2=C37)C4=C56

PubChem CID 87272327
CAS 82531-03-1
Molecular Weight (g/mol) 614.79
MDL Number MFCD21362484
SMILES CCCCC(CC)CN1C(=O)C2=CC=C3C4=CC=C5C(=O)N(CC(CC)CCCC)C(=O)C6=CC=C(C7=CC=C(C1=O)C2=C37)C4=C56
Synonym Plast Orange 8160
IUPAC Name 7,18-bis(2-ethylhexyl)-7,18-diazaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
InChI Key WEHOVFLILUDUKQ-UHFFFAOYNA-N
Molecular Formula C40H42N2O4
14

N-Hydroxy-1,8-naphthalimide 97.0+%, TCI America™

CAS: 7797-81-1 Molecular Formula: C12H7NO3 Molecular Weight (g/mol): 213.192 MDL Number: MFCD00065062 InChI Key: KTWCUGUUDHJVIH-UHFFFAOYSA-N Synonym: n-hydroxynaphthalimide,n-hydroxy-1,8-naphthalimide,naphthalimide, n-hydroxy,naphthalhydroxamic acid,2-hydroxy-1h-benzo de isoquinoline-1,3 2h-dione,n-hydroxy-1,8-naphthalenedicarboximide,2-hydroxy-1h-benz de isoquinoline-1,3 2h-dione,2-hydroxybenzo de isoquinoline-1,3-dione,1h-benz de isoquinoline-1,3 2h-dione, 2-hydroxy,unii-dzg9avw5v2 PubChem CID: 82263 IUPAC Name: 2-hydroxybenzo[de]isoquinoline-1,3-dione SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)O

PubChem CID 82263
CAS 7797-81-1
Molecular Weight (g/mol) 213.192
MDL Number MFCD00065062
SMILES C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)O
Synonym n-hydroxynaphthalimide,n-hydroxy-1,8-naphthalimide,naphthalimide, n-hydroxy,naphthalhydroxamic acid,2-hydroxy-1h-benzo de isoquinoline-1,3 2h-dione,n-hydroxy-1,8-naphthalenedicarboximide,2-hydroxy-1h-benz de isoquinoline-1,3 2h-dione,2-hydroxybenzo de isoquinoline-1,3-dione,1h-benz de isoquinoline-1,3 2h-dione, 2-hydroxy,unii-dzg9avw5v2
IUPAC Name 2-hydroxybenzo[de]isoquinoline-1,3-dione
InChI Key KTWCUGUUDHJVIH-UHFFFAOYSA-N
Molecular Formula C12H7NO3
15

Palonosetron Hydrochloride 98.0+%, TCI America™

CAS: 135729-62-3 Molecular Formula: C19H25ClN2O Molecular Weight (g/mol): 332.87 MDL Number: MFCD00939524 InChI Key: OLDRWYVIKMSFFB-KPVRICSOSA-N PubChem CID: 6918303 ChEBI: CHEBI:85157 IUPAC Name: hydrogen (5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-2-one chloride SMILES: [H+].[Cl-].O=C1N(C[C@@H]2CCCC3=CC=CC1=C23)[C@@H]1CN2CCC1CC2

PubChem CID 6918303
CAS 135729-62-3
Molecular Weight (g/mol) 332.87
ChEBI CHEBI:85157
MDL Number MFCD00939524
SMILES [H+].[Cl-].O=C1N(C[C@@H]2CCCC3=CC=CC1=C23)[C@@H]1CN2CCC1CC2
IUPAC Name hydrogen (5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-2-one chloride
InChI Key OLDRWYVIKMSFFB-KPVRICSOSA-N
Molecular Formula C19H25ClN2O