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Isochinolin und Derivate

Aromatische heterozyklische organische Verbindungen, die aus einem Benzolring bestehen, der mit einem Pyridinring fusioniert ist; sie sind strukturelle Isomere von Chinolin. Dazu gehören Verbindungen, die aus Isochinolinen gewonnen werden.
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1

Papaverinhydrochlorid, 99 %, Thermo Scientific Chemicals

CAS: 61-25-6 Summenformel: C20H21NO4·ClH Molekulargewicht (g/mol): 375.85 MDL-Nummer: MFCD00012745 InChI-Schlüssel: 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-Dimethoxyisochinolin;Hydrochlorid SMILES: COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl

InChI-Schlüssel UOTMYNBWXDUBNX-UHFFFAOYSA-N
IUPAC-Name 1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxyisochinolin;Hydrochlorid
PubChem CID 6084
CAS 61-25-6
MDL-Nummer MFCD00012745
Molekulargewicht (g/mol) 375.85
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
Summenformel C20H21NO4·ClH
2

3,4-Dihydro-2H-isochinolin-1-on, 98 %, Thermo Scientific Chemicals

CAS: 1196-38-9 Summenformel: C9H9NO Molekulargewicht (g/mol): 147.18 InChI-Schlüssel: 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-Isochinolin-1-on SMILES: C1CNC(=O)C2=CC=CC=C21

InChI-Schlüssel YWPMKTWUFVOFPL-UHFFFAOYSA-N
IUPAC-Name 3,4-Dihydro-2H-Isochinolin-1-on
PubChem CID 150896
CAS 1196-38-9
Molekulargewicht (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
Summenformel C9H9NO
3

Thermo Scientific Chemicals Atracurium Besilat, 96 %

CAS: 64228-81-5 Summenformel: C53H72N2O12·2C6H5O3S Molekulargewicht (g/mol): 1243.49 InChI-Schlüssel: 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: Benzolsulfonat;5-[3-[1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isochinolin-2-ium-2-yl]Propanoyloxy]Pentyl 3-[1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isochinolin-2-ium-2-yl]Propanoat 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-]

InChI-Schlüssel XXZSQOVSEBAPGS-UHFFFAOYSA-L
IUPAC-Name Benzolsulfonat;5-[3-[1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isochinolin-2-ium-2-yl]Propanoyloxy]Pentyl 3-[1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isochinolin-2-ium-2-yl]Propanoat
PubChem CID 47320
CAS 64228-81-5
ChEBI CHEBI:2915
Molekulargewicht (g/mol) 1243.49
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
Summenformel C53H72N2O12·2C6H5O3S
4

Isocarbostyril, 98 %, Thermo Scientific Chemicals

CAS: 491-30-5 Summenformel: C9H7NO Molekulargewicht (g/mol): 145.16 InChI-Schlüssel: 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-Isochinolin-1-on SMILES: C1=CC=C2C(=C1)C=CNC2=O

InChI-Schlüssel VDBNYAPERZTOOF-UHFFFAOYSA-N
IUPAC-Name 2H-Isochinolin-1-on
PubChem CID 10284
CAS 491-30-5
ChEBI CHEBI:18350
Molekulargewicht (g/mol) 145.16
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
Summenformel C9H7NO