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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

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
2

L-Aspartic Acid 4-tert-Butyl Ester, TRC

CAS: 3057-74-7 Molecular Formula: C8H15NO4 Molecular Weight (g/mol): 189.21 Synonym: L-Aspartic Acid 4-(1,1-Dimethylethyl) Ester,(S)-2-Amino-4-tert-butoxy-4-oxobutanoic Acid,Aspartic Acid beta-tert-Butyl Ester,L-Aspartic Acid beta-tert-Butyl Ester,beta-tert-Butyl L-Aspartate,beta-tert-Butyl Aspartate IUPAC Name: (2S)-2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid SMILES: CC(C)(C)OC(=O)CC(N)C(=O)O

CAS 3057-74-7
Molecular Weight (g/mol) 189.21
SMILES CC(C)(C)OC(=O)CC(N)C(=O)O
Synonym L-Aspartic Acid 4-(1,1-Dimethylethyl) Ester,(S)-2-Amino-4-tert-butoxy-4-oxobutanoic Acid,Aspartic Acid beta-tert-Butyl Ester,L-Aspartic Acid beta-tert-Butyl Ester,beta-tert-Butyl L-Aspartate,beta-tert-Butyl Aspartate
IUPAC Name (2S)-2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Molecular Formula C8H15NO4
3

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
4

N-Hydroxy-1,8-naphthalimide, 97%, Thermo Scientific™

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