Isoquinolines and derivatives

Isoquinolines and derivatives
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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 |
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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 |
Thermo Scientific Acros 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 |
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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 |
Thermo Scientific Acros 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 |
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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 |
Thermo Scientific Acros 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 |
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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 |