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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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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
2

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
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
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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
4
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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
5

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
6

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
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
7

eMolecules​ 953421-72-2 | 4-Bromo-7-chloro-isoquinoline | J & W PharmLab LLC | MFCD21604719 | 242.500 | C9H5BrClN | 96.000 | Clc1ccc2c(Br)cncc2c1 | 1g | 309210926

4-Bromo-7-chloro-isoquinoline | J & W PharmLab LLC | 953421-72-2 | MFCD21604719 | 242.500 | C9H5BrClN | 96.000 | Clc1ccc2c(Br)cncc2c1 | 1g | 309210926

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Sigma Aldrich cis-4-Aminotetrahydro-3-furanol hydrochloride

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

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Sigma Aldrich 1,2,3-Trimethoxybenzene

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

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CAS 634-36-6
10

eMolecules​ 2757083-35-3 | Ambeed | (R)-4-Benzyl-2-(isoquinolin-1-yl)-45-dihydrooxazole | 50mg | 649782670 | A1493920 | 288.35 | C19H16N2O

Ambeed | Methyl 5-aminopicolinate | 250mg | 521438671 | A360903 | 67515-76-8 | MFCD07783939 | 152.153 | C7H8N2O2

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eMolecules​ 879399-07-2 | (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol | 1g

Pharmablock | (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol | 1g | 624170456 | PBSQ3060 | 879399-07-2 | 142.202 | C7H14N2O

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eMolecules​ (3S,4AS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide | 136465-81-1 | MFCD01313226 | 5g

Matrix Scientific | (3S,4AS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide | 5g | 389723121 | 73856 | 95.000 | 136465-81-1 | MFCD01313226 | 238.375 | C14H26N2O

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eMolecules​ 646518-35-6 | RACEMIC-(4R,4AR,8AS)-ETHYL DECAHYDROISOQUINOLINE-4-CARBOXYLATE ACETATE | MFCD28390343 | 0.1g

AstaTech | RACEMIC-(4R,4AR,8AS)-ETHYL DECAHYDROISOQUINOLINE-4-CARBOXYLATE ACETATE | 0.1g | 598454240 | W14379 | 95.000 | 646518-35-6 | MFCD28390343 | 271.357 | C14H25NO4

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eMolecules​ 1807939-68-9 | (7S,8aS)-7-fluoro-octahydropyrrolo[1,2-a]pyrazine dihydrochloride | MFCD18380706 | 1g

Ambeed | (S)-4-Benzyl-2-((R)-1-(diphenylphosphanyl)piperidin-2-yl)-45-dihydrooxazole | 100mg | 682929185 | A1494062 | 2757084-59-4 | 428.516 | C27H29N2OP

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eMolecules​ 164858-78-0 | (R)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-isopropyl-2-oxazoline | MFCD02684553 | 1g

ChemScene | 4-Chloro-2-methoxy-5-(4455-tetramethyl-132-dioxaborolan-2-yl)pyridine | 100mg | 779525932 | CS-0614344 | 2369772-11-0 | 269.530 | C12H17BClNO3

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