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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

Higenamine Hydrochloride, TRC

CAS: 11041-94-4 Summenformel: C16 H17 N O3 . Cl H Molekulargewicht (g/mol): 307.77 Synonym: 1-(4-Hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrochloride IUPAC-Name: 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride SMILES: Cl.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1

IUPAC-Name 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
CAS 11041-94-4
Molekulargewicht (g/mol) 307.77
SMILES Cl.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
Synonym 1-(4-Hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrochloride
Summenformel C16 H17 N O3 . Cl H
3

rac-Nor Laudanosine Hydrochloride, TRC

CAS: 6429-04-5 Summenformel: C20 H25 N O4 . Cl H Molekulargewicht (g/mol): 379.88 Synonym: 1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline Hydrochloride,1,2,3,4-Tetrahydro-6,7-dimethoxy-1-veratrylisoquinoline Hydrochloride,(±)-N-Norlaudanosine Hydrochloride,(±)-Norlaudanosine Hydrochloride,(±)-Tetrahydropapaverine Hydrochloride,1,2,3,4-Tetrahydropapaverine Hydrochloride,1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride,Tetrahydropapaverine Hydrochloride; IUPAC-Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride SMILES: Cl.COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC

IUPAC-Name 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CAS 6429-04-5
Molekulargewicht (g/mol) 379.88
SMILES Cl.COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC
Synonym 1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline Hydrochloride,1,2,3,4-Tetrahydro-6,7-dimethoxy-1-veratrylisoquinoline Hydrochloride,(±)-N-Norlaudanosine Hydrochloride,(±)-Norlaudanosine Hydrochloride,(±)-Tetrahydropapaverine Hydrochloride,1,2,3,4-Tetrahydropapaverine Hydrochloride,1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride,Tetrahydropapaverine Hydrochloride;
Summenformel C20 H25 N O4 . Cl H
4

Palonosetron-3-ene Hydrochloride, TRC

CAS: 135729-55-4 Summenformel: C19 H22 N2 O . Cl H Molekulargewicht (g/mol): 330.85 Synonym: 1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,4,5,6-tetrahydro-, hydrochloride (1:1),1H-Benz[de]isoquinolin-1-one, 2-(1-azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro-, monohydrochloride, (S)-,1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,4,5,6-tetrahydro-, monohydrochloride (9CI),2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl] 2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one hydrochloride,RS 25259-007,RS 42358-197 IUPAC-Name: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one;hydrochloride SMILES: Cl.O=C1N(C=C2CCCc3cccc1c23)[C@@H]4CN5CCC4CC5

IUPAC-Name 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one;hydrochloride
CAS 135729-55-4
Molekulargewicht (g/mol) 330.85
SMILES Cl.O=C1N(C=C2CCCc3cccc1c23)[C@@H]4CN5CCC4CC5
Synonym 1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,4,5,6-tetrahydro-, hydrochloride (1:1),1H-Benz[de]isoquinolin-1-one, 2-(1-azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro-, monohydrochloride, (S)-,1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,4,5,6-tetrahydro-, monohydrochloride (9CI),2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl] 2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one hydrochloride,RS 25259-007,RS 42358-197
Summenformel C19 H22 N2 O . Cl H
5

(-)-Coclaurine Hydrochloride, TRC

CAS: 3422-42-2 Summenformel: C17H20ClNO3 Molekulargewicht (g/mol): 321.8 Synonym: 1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol IUPAC-Name: (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride SMILES: COC1=C(C=C2C(=C1)CCN[C@H]2CC3=CC=C(C=C3)O)O.Cl

IUPAC-Name (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride
CAS 3422-42-2
Molekulargewicht (g/mol) 321.8
SMILES COC1=C(C=C2C(=C1)CCN[C@H]2CC3=CC=C(C=C3)O)O.Cl
Synonym 1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol
Summenformel C17H20ClNO3
6

(R,S)-Palonosetron Hydrochloride (90%), TRC

CAS: 135755-51-0 Summenformel: C19 H24 N2 O . Cl H Molekulargewicht (g/mol): 332.87 Synonym: 1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, hydrochloride (1:1), (3aR)-,1H-Benz[de]isoquinolin-1-one, 2-(1-azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-, monohydrochloride, [S-(R*,S*)]-,1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, monohydrochloride, (3aR)- (9CI),(3aR)-2-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one hydrochloride (1:1),RS 25233-198 IUPAC-Name: (3aR)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride SMILES: Cl.O=C1N(C[C@@H]2CCCc3cccc1c23)[C@@H]4CN5CCC4CC5

IUPAC-Name (3aR)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride
CAS 135755-51-0
Molekulargewicht (g/mol) 332.87
SMILES Cl.O=C1N(C[C@@H]2CCCc3cccc1c23)[C@@H]4CN5CCC4CC5
Synonym 1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, hydrochloride (1:1), (3aR)-,1H-Benz[de]isoquinolin-1-one, 2-(1-azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-, monohydrochloride, [S-(R*,S*)]-,1H-Benz[de]isoquinolin-1-one, 2-(3S)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, monohydrochloride, (3aR)- (9CI),(3aR)-2-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one hydrochloride (1:1),RS 25233-198
Summenformel C19 H24 N2 O . Cl H
7

(S,R)-Palonosetron Hydrochloride Contains up to ~35% (R,R)-isomer, TRC

CAS: 135729-76-9 Summenformel: C19 H24 N2 O . Cl H Molekulargewicht (g/mol): 332.87 Synonym: 1H-Benz[de]isoquinolin-1-one, 2-(3R)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, hydrochloride (1:1), (3aS)-,1H-Benz[de]isoquinolin-1-one, 2-(1-azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-, monohydrochloride, [R-(R*,S*)]- (9CI),(3aS)-2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one hydrochloride (1:1),RS 25233-197 IUPAC-Name: (3aS)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride SMILES: Cl.O=C1N(C[C@H]2CCCc3cccc1c23)[C@H]4CN5CCC4CC5

IUPAC-Name (3aS)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride
CAS 135729-76-9
Molekulargewicht (g/mol) 332.87
SMILES Cl.O=C1N(C[C@H]2CCCc3cccc1c23)[C@H]4CN5CCC4CC5
Synonym 1H-Benz[de]isoquinolin-1-one, 2-(3R)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, hydrochloride (1:1), (3aS)-,1H-Benz[de]isoquinolin-1-one, 2-(1-azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-, monohydrochloride, [R-(R*,S*)]- (9CI),(3aS)-2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one hydrochloride (1:1),RS 25233-197
Summenformel C19 H24 N2 O . Cl H
8

Palmitoleinsäure > 99%, MP Biomedicals™

CAS: 61-25-6 Summenformel: C20H22ClNO4 Molekulargewicht (g/mol): 375.849 InChI-Schlüssel: UOTMYNBWXDUBNX-UHFFFAOYSA-N Synonym: Papaverinhydrochlorid,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
Molekulargewicht (g/mol) 375.849
SMILES COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Synonym Papaverinhydrochlorid,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan
Summenformel C20H22ClNO4
9

Papaverinhydrochlorid, 99 %, Thermo Scientific Chemicals

CAS: 61-25-6 Summenformel: C20H22ClNO4 Molekulargewicht (g/mol): 375.849 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) 375.849
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
Summenformel C20H22ClNO4