Isoquinolones and derivatives

Alfa Aesar™ Naltrexone hydrochloride

CAS: 16676-29-2 Molecular Formula: C20H24ClNO4 Molecular Weight (g/mol): 377.865 MDL Number: MFCD00069324 InChI Key: RHBRMCOKKKZVRY-ITLPAZOVSA-N Synonym: antaxone PubChem CID: 5485201 IUPAC Name: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O.Cl

Alfa Aesar™ Naloxone hydrochloride, 98%

CAS: 357-08-4 Molecular Formula: C19H22ClNO4 Molecular Weight (g/mol): 363.838 MDL Number: MFCD00069322 InChI Key: RGPDIGOSVORSAK-STHHAXOLSA-N Synonym: 17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride PubChem CID: 5464092 IUPAC Name: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride SMILES: C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl

Alfa Aesar™ 1-Hydroxyisoquinoline, 97%

CAS: 491-30-5 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00006899 InChI Key: VDBNYAPERZTOOF-UHFFFAOYSA-N Synonym: 1 2h-isoquinolinone PubChem CID: 10284 ChEBI: CHEBI:18350 IUPAC Name: 2H-isoquinolin-1-one SMILES: C1=CC=C2C(=C1)C=CNC2=O

Alfa Aesar™ 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: 3,4,9,10-perylenetetracarboxylic acid diimide 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

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): 614.786 InChI Key: WEHOVFLILUDUKQ-UHFFFAOYSA-N Synonym: Plast Orange 8160 PubChem CID: 87272327 SMILES: CCCCC(CC)CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CC(CC)CCCC)C1=O

Lucifer yellow CH, Dilithium salt, ≥99%, >95%, MP Biomedicals

CAS: 67769-47-5 Molecular Formula: C13H9Li2N5O9S2 Molecular Weight (g/mol): 457.241 InChI Key: RPKCZJYDUKVMGF-UHFFFAOYSA-L Synonym: 6-amino-2[(Hyrazinocarbonyl)amino]-2,3-dihydro-1,3-dioxo-1H-Benz[de] Isoquinoline-5,8-disulfonic acid dilithium salt PubChem CID: 124220108 ChEBI: CHEBI:52106 IUPAC Name: dilithium;6-amino-2-(hydrazinecarbonylamino)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate SMILES: [Li+].[Li+].C1=C(C=C2C3=C1C(=O)N(C(=O)C3=CC(=C2N)S(=O)(=O)[O-])NC(=O)NN)S(=O)(=O)[O-]

N,N′-Ditridecyl-3,4,9,10-perylenetetracarboxylic Diimide 98.0+%, TCI America™

CAS: 95689-92-2 Molecular Formula: C50H62N2O4 Molecular Weight (g/mol): 755.056 MDL Number: MFCD00134587 InChI Key: XCAZCFDCJHGAIT-UHFFFAOYSA-N Synonym: PTCDI-C13 PubChem CID: 3295215 SMILES: CCCCCCCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCCCCCCC)C1=O

Naloxone hydrochloride, Tocris Bioscience™

CAS: 357-08-4 Molecular Formula: C19H22ClNO4 Molecular Weight (g/mol): 363.838 InChI Key: RGPDIGOSVORSAK-STHHAXOLSA-N Synonym: 17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride PubChem CID: 5464092 IUPAC Name: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride SMILES: C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl

N,N′-Bis(2,6-diisopropylphenyl)-3,4,9,10-perylenetetracarboxylic Diimide 98.0+%, TCI America™

CAS: 82953-57-9 Molecular Formula: C48H42N2O4 Molecular Weight (g/mol): 710.874 InChI Key: NAZODJSYHDYJGP-UHFFFAOYSA-N Synonym: Perylene Orange PubChem CID: 14618068 SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=C(C=CC=C9C(C)C)C(C)C)C2=O

N,N′-Bis(2,6-diisopropylphenyl)-1,6,7,12-tetraphenoxy-3,4,9,10-perylenetetracarboxylic Diimide 95.0+%, TCI America™

CAS: 123174-58-3 Molecular Formula: C72H58N2O8 Molecular Weight (g/mol): 1079.262 InChI Key: ZZSIDSMUTXFKNS-UHFFFAOYSA-N PubChem CID: 16172388 SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=CC(=C4C5=C(C=C6C7=C5C(=C(C=C7C(=O)N(C6=O)C8=C(C=CC=C8C(C)C)C(C)C)OC9=CC=CC=C9)C1=C(C=C(C3=C41)C2=O)OC1=CC=CC=C1)OC1=CC=CC=C1)OC1=CC=CC=C1

N,N′-Bis(3,5-dimethylphenyl)-3,4,9,10-perylenetetracarboxylic Diimide 95.0+%, TCI America™

CAS: 4948-15-6 Molecular Formula: C40H26N2O4 Molecular Weight (g/mol): 598.658 MDL Number: MFCD01318472 InChI Key: FDXVHZCFTCIKDD-UHFFFAOYSA-N Synonym: Pigment Red 149 PubChem CID: 62555 SMILES: CC1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=CC(=C9)C)C)C2=O)C

3,4,9,10-Perylenetetracarboxylic Diimide 95.0+%, TCI America™

Alfa Aesar™ 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-naphthalenedicarboximide PubChem CID: 66491 IUPAC Name: benzo[de]isoquinoline-1,3-dione SMILES: C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC=C2

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

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

Alfa Aesar™ N-Hydroxy-1,8-naphthalimide, 97%

CAS: 7797-81-1 Molecular Formula: C12H7NO3 Molecular Weight (g/mol): 213.192 MDL Number: MFCD00065062 InChI Key: KTWCUGUUDHJVIH-UHFFFAOYSA-N Synonym: 1h-benz de isoquinoline-1,3 2h-dione, 2-hydroxy 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

Alfa Aesar™ 7-Bromo-1-hydroxyisoquinoline, 98+%

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

Alfa Aesar™ 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: 2,3-dihydroisoquinolin-3-one PubChem CID: 2736554 IUPAC Name: 2H-isoquinolin-3-one SMILES: C1=CC2=CC(=O)NC=C2C=C1

Alfa Aesar™ Nullscript, 97%

CAS: 300816-11-9 Molecular Formula: C16H14N2O4 Molecular Weight (g/mol): 298.298 MDL Number: MFCD00405081 InChI Key: GBPSCCPAXYTNMB-UHFFFAOYSA-N Synonym: nullscript, 4-2,4-dioxo-3-azatricyclo 7.3.1.0?, 1 3 trideca-1 13 ,5,7,9,11-pentaen-3-yl-n-hydroxybutanamide, hdinhib_000069, cbchromo1_000059, 1h-benz de isoquinoline-2 3h-butanamide, n-hydroxy-1,3-dioxo, 4-1,3-dioxobenzo de isoquinolin-2-yl-n-hydroxybutanamide, 4-1,3-dioxo-1h,3h-benzo de isoquinolin-2-yl-n-hydroxybutanamide, 4-1,3-dioxo-1h,3h-benzo de isoquinolin-2-yl-n-hydroxy-butyramide, 4-2,4-dioxo-3-azatricyclo 7.3.1.0^ 5,13 trideca-1 13 ,5,7,9,11-pentaen-3-yl-n-hydroxybutanamide PubChem CID: 3785 IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxybutanamide SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NO

6,7-Dihydroxy-3,4-dihydroisoquinoline, 98%, ACROS Organics™

CAS: 4602-83-9 Molecular Formula: C₉H₉NO₂ Molecular Weight (g/mol): 163.18 MDL Number: MFCD00143490 InChI Key: WQFVTSPRATYMNQ-UHFFFAOYSA-N Synonym: 3,4-dihydroisoquinoline-6,7-diol PubChem CID: 5922170 IUPAC Name: 7-hydroxy-3,4-dihydro-2H-isoquinolin-6-one SMILES: C1CNC=C2C1=CC(=O)C(=C2)O

Alfa Aesar™ 4-Amino-1,8-naphthalimide, 97%

CAS: 1742-95-6 Molecular Formula: C12H8N2O2 Molecular Weight (g/mol): 212.208 MDL Number: MFCD00006921 InChI Key: SSMIFVHARFVINF-UHFFFAOYSA-N Synonym: 1h-benz de isoquinoline-1,3 2h-dione, 6-amino PubChem CID: 1720 ChEBI: CHEBI:40071 IUPAC Name: 6-aminobenzo[de]isoquinoline-1,3-dione SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N

Isocarbostyril, 98%, ACROS Organics™

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

Gliquidone 98.0+%, TCI America™

CAS: 33342-05-1 Molecular Formula: C27H33N3O6S Molecular Weight (g/mol): 527.636 MDL Number: MFCD00631870 InChI Key: LLJFMFZYVVLQKT-UHFFFAOYSA-N PubChem CID: 91610 IUPAC Name: 1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]phenyl]sulfonylurea SMILES: CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C

Palonosetron Hydrochloride 98.0+%, TCI America™

CAS: 135729-62-3 Molecular Formula: C19H25ClN2O Molecular Weight (g/mol): 332.872 MDL Number: MFCD07370072 InChI Key: OLDRWYVIKMSFFB-SSPJITILSA-N PubChem CID: 6918303 ChEBI: CHEBI:85157 IUPAC Name: (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride SMILES: C1CC2CN(C(=O)C3=C2C(=CC=C3)C1)C4CN5CCC4CC5.Cl

Brilliant Sulfaflavine, MP Biomedicals™

CAS: 2391-30-2 Molecular Formula: C19H13N2NaO5S Molecular Weight (g/mol): 404.372 InChI Key: HYLDLLCHFLSKAG-UHFFFAOYSA-M Synonym: BSF PubChem CID: 23678860 ChEBI: CHEBI:87226 IUPAC Name: sodium;6-amino-2-(4-methylphenyl)-1,3-dioxobenzo[de]isoquinoline-5-sulfonate SMILES: CC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)[O-])C2=O.[Na+]

N,N′-Bis(4-methoxyphenyl)-3,4,9,10-perylenetetracarboxylic Diimide 97.0+%, TCI America™

CAS: 6424-77-7 Molecular Formula: C38H22N2O6 Molecular Weight (g/mol): 602.602 MDL Number: MFCD00071978 InChI Key: VZFVREBNFMQPSI-UHFFFAOYSA-N Synonym: Pigment Red 190 PubChem CID: 80898 SMILES: COC1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC=C(C=C9)OC)C2=O

1,6,7,12-Tetrakis(4-tert-butylphenoxy)-N,N′-bis(2,6-diisopropylphenyl)-3,4,9,10-perylenetetracarboxylic Diimide 98+%, TCI America™

CAS: 112078-08-7 Molecular Formula: C88H90N2O8 Molecular Weight (g/mol): 1303.694 MDL Number: MFCD15145478 InChI Key: FWBMUFREAVBYDX-UHFFFAOYSA-N PubChem CID: 91972137 SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=CC(=C4C5=C(C=C6C7=C5C(=C(C=C7C(=O)N(C6=O)C8=C(C=CC=C8C(C)C)C(C)C)OC9=CC=C(C=C9)C(C)(C)C)C1=C(C=C(C3=C41)C2=O)OC1=CC=C(C=C1)C(C)(C)C)OC1=CC=C(C=C1)C(C)(C)C)OC1=CC=C(C=C1)C(C)(C)C

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

N,N′-Di-n-octyl-3,4,9,10-perylenetetracarboxylic Diimide 98.0+%, TCI America™

CAS: 78151-58-3 Molecular Formula: C40H42N2O4 Molecular Weight (g/mol): 614.786 MDL Number: MFCD08276854 InChI Key: YFGMQDNQVFJKTR-UHFFFAOYSA-N Synonym: PTCDI-C8 PubChem CID: 10722480 SMILES: CCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCC)C1=O

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