Isoquinolines and derivatives

Isoquinolines and derivatives
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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.
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 |
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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 |
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 |
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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 |
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 |
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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 |
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 |
Naltrexone hydrochloride, Thermo Scientific Chemicals
CAS: 16676-29-2 Molecular Formula: C20H24ClNO4 Molecular Weight (g/mol): 377.865 MDL Number: MFCD00069324 InChI Key: RHBRMCOKKKZVRY-ITLPAZOVSA-N Synonym: naltrexone hydrochloride,naltrexone hcl,trexan,depade,antaxone,revia,nalorex,unii-z6375yw9sf,nemexin 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
PubChem CID | 5485201 |
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CAS | 16676-29-2 |
Molecular Weight (g/mol) | 377.865 |
MDL Number | MFCD00069324 |
SMILES | C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O.Cl |
Synonym | naltrexone hydrochloride,naltrexone hcl,trexan,depade,antaxone,revia,nalorex,unii-z6375yw9sf,nemexin |
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 |
InChI Key | RHBRMCOKKKZVRY-ITLPAZOVSA-N |
Molecular Formula | C20H24ClNO4 |
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: naloxone hydrochloride,naloxone hcl,narcan,evzio,unii-f850569pqr,nalonee,17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride,narcan tn,naloxonehydrochloride 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
PubChem CID | 5464092 |
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CAS | 357-08-4 |
Molecular Weight (g/mol) | 363.838 |
MDL Number | MFCD00069322 |
SMILES | C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl |
Synonym | naloxone hydrochloride,naloxone hcl,narcan,evzio,unii-f850569pqr,nalonee,17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride,narcan tn,naloxonehydrochloride |
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 |
InChI Key | RGPDIGOSVORSAK-STHHAXOLSA-N |
Molecular Formula | C19H22ClNO4 |
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 |
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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 |
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 |
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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 |
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
PubChem CID | 80898 |
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CAS | 6424-77-7 |
Molecular Weight (g/mol) | 602.602 |
MDL Number | MFCD00071978 |
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 |
Synonym | Pigment Red 190 |
InChI Key | VZFVREBNFMQPSI-UHFFFAOYSA-N |
Molecular Formula | C38H22N2O6 |
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
PubChem CID | 62555 |
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CAS | 4948-15-6 |
Molecular Weight (g/mol) | 598.658 |
MDL Number | MFCD01318472 |
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 |
Synonym | Pigment Red 149 |
InChI Key | FDXVHZCFTCIKDD-UHFFFAOYSA-N |
Molecular Formula | C40H26N2O4 |
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 |
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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 |
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
PubChem CID | 10722480 |
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CAS | 78151-58-3 |
Molecular Weight (g/mol) | 614.786 |
MDL Number | MFCD08276854 |
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 |
Synonym | PTCDI-C8 |
InChI Key | YFGMQDNQVFJKTR-UHFFFAOYSA-N |
Molecular Formula | C40H42N2O4 |
N,N'-Dimethyl-3,4,9,10-perylenetetracarboxylic Diimide 92.0+%, TCI America™
CAS: 5521-31-3 Molecular Formula: C26H14N2O4 Molecular Weight (g/mol): 418.408 MDL Number: MFCD00071975 InChI Key: PJQYNUFEEZFYIS-UHFFFAOYSA-N Synonym: Pigment Red 179 PubChem CID: 79657 SMILES: CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)C)C1=O
PubChem CID | 79657 |
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CAS | 5521-31-3 |
Molecular Weight (g/mol) | 418.408 |
MDL Number | MFCD00071975 |
SMILES | CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)C)C1=O |
Synonym | Pigment Red 179 |
InChI Key | PJQYNUFEEZFYIS-UHFFFAOYSA-N |
Molecular Formula | C26H14N2O4 |
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
PubChem CID | 3295215 |
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CAS | 95689-92-2 |
Molecular Weight (g/mol) | 755.056 |
MDL Number | MFCD00134587 |
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 |
Synonym | PTCDI-C13 |
InChI Key | XCAZCFDCJHGAIT-UHFFFAOYSA-N |
Molecular Formula | C50H62N2O4 |