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Isoquinoliner og derivater

Aromatiske heterocykliske organiske forbindelser, der består af en benzenring fusioneret til en pyridinring; de er strukturelle isomerer af quinolin. Omfatter forbindelser, der er afledt af isoquinoliner.

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1

N-[2-(3,4-Dihydro-1-oxo-2(1H)-isoquinolinyl)-2-oxoethyl]-N-formyl-cyclohexancarboxamid, TRC

CAS: 125273-88-3 Molekylær formel: C19 H22 N2 O4 Molekylvægt (g/mol): 342.39 Synonym: N-[2-(3,4-dihydro-1-oxo-2(1H)-isoquinolinyl)-2-oxoethyl]-N-formyl-cyclohexanecarboxamide,Praziquantel RC C (USP) IUPAC navn: N-formyl-N-[2-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl] cyclohexancarboxamid SMIL: O=CN(CC(=O)N1CCc2ccccc2C1=O)C(=O)C3CCCCC3

Molekylvægt (g/mol) 342.39
CAS 125273-88-3
Synonym N-[2-(3,4-dihydro-1-oxo-2(1H)-isoquinolinyl)-2-oxoethyl]-N-formyl-cyclohexanecarboxamide,Praziquantel RC C (USP)
SMIL O=CN(CC(=O)N1CCc2ccccc2C1=O)C(=O)C3CCCCC3
IUPAC navn N-formyl-N-[2-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl] cyclohexancarboxamid
Molekylær formel C19 H22 N2 O4
4

Papaveraldine, TRC

CAS: 522-57-6 Molekylær formel: C20 H19 N O5 Molekylvægt (g/mol): 353.3 Synonym: NSC 94266,Papaveraldin,6,7-Dimethoxy-1-veratroylisoquinoline; IUPAC navn: (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanon SMIL: COc1ccc(cc1OC)C(=O)c2nccc3cc(OC)c(OC)cc23

Molekylvægt (g/mol) 353.3
CAS 522-57-6
Synonym NSC 94266,Papaveraldin,6,7-Dimethoxy-1-veratroylisoquinoline;
SMIL COc1ccc(cc1OC)C(=O)c2nccc3cc(OC)c(OC)cc23
IUPAC navn (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanon
Molekylær formel C20 H19 N O5
5

Thermo Scientific Chemicals Atracuriumbesylat, 96%

CAS: 64228-81-5 Molekylær formel: C53H72N2O12·2C6H5O3S Molekylvægt (g/mol): 1243.49 InChI nøgle: 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 navn: benzensulfonat; 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]propanoat SMIL: 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
Molekylvægt (g/mol) 1243.49
CAS 64228-81-5
ChEBI CHEBI:2915
Synonym atracurium besylate,atracurium besilate,tracrium,atracurii besilas,besilate d'atracurium,besilato de atracurio,tracrium preservative free,atracurii besilas inn-latin,bw 33a
SMIL 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-]
IUPAC navn benzensulfonat; 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]propanoat
InChI nøgle XXZSQOVSEBAPGS-UHFFFAOYSA-L
Molekylær formel C53H72N2O12·2C6H5O3S
6

Higenamin Hydrochlorid, TRC

CAS: 11041-94-4 Molekylær formel: C16 H17 N O3 . Cl H Molekylvægt (g/mol): 307.77 Synonym: 1-(4-Hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrochloride IUPAC navn: 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6,7-diol; hydrochlorid SMIL: Cl.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1

Molekylvægt (g/mol) 307.77
CAS 11041-94-4
Synonym 1-(4-Hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Hydrochloride
SMIL Cl.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1
IUPAC navn 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6,7-diol; hydrochlorid
Molekylær formel C16 H17 N O3 . Cl H
7

Ethaverine, TRC

CAS: 486-47-5 Molekylær formel: C24 H29 N O4 Molekylvægt (g/mol): 395.49 Synonym: 1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline,Perparine,1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline,6,7-Diethoxy-1-(3,4-diethoxybenzyl)isoquinoline,Barbonin,Barbonine,Dyscural,Ethylpapaverine,Ethylpapaverine IUPAC navn: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin SMIL: CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC

Molekylvægt (g/mol) 395.49
CAS 486-47-5
Synonym 1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline,Perparine,1-(3,4-Diethoxybenzyl)-6,7-diethoxyisoquinoline,6,7-Diethoxy-1-(3,4-diethoxybenzyl)isoquinoline,Barbonin,Barbonine,Dyscural,Ethylpapaverine,Ethylpapaverine
SMIL CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC
IUPAC navn 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin
Molekylær formel C24 H29 N O4
8

Oxyberberin, TRC

CAS: 549-21-3 Molekylær formel: C20 H17 N O5 Molekylvægt (g/mol): 351.35 Synonym: 8H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizin-8-one, 5,6-dihydro-9,10-dimethoxy-,Berbin-8-one, 13,13a-didehydro-9,10-dimethoxy-2,3-(methylenedioxy)- (8CI),Oxyberberine (6CI),8-Oxoberberine,8-Oxyberberine,Berberin-8-one,Berlambine,JKL 1073A,NSC 93138 SMIL: O=C1C=2C(OC)=C(OC)C=CC2C=C3C4=CC=5OCOC5C=C4CCN13

Molekylvægt (g/mol) 351.35
CAS 549-21-3
Synonym 8H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizin-8-one, 5,6-dihydro-9,10-dimethoxy-,Berbin-8-one, 13,13a-didehydro-9,10-dimethoxy-2,3-(methylenedioxy)- (8CI),Oxyberberine (6CI),8-Oxoberberine,8-Oxyberberine,Berberin-8-one,Berlambine,JKL 1073A,NSC 93138
SMIL O=C1C=2C(OC)=C(OC)C=CC2C=C3C4=CC=5OCOC5C=C4CCN13
Molekylær formel C20 H17 N O5
9

(R)-Laudanosine, TRC

CAS: 85-63-2 Molekylær formel: C21H27NO4 Molekylvægt (g/mol): 357.44 Synonym: (1R)-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline,(R)-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline,1βH-Laudanosine,(-)-Laudanosine,D-(-)-Laudanosine,D-Laudanosine,O-Methyllaudanidine,R-(-)-Laudanosine,l-N-Methyltetrahydropapaverine SMIL: Cl.FC[C@H](N)[C@@H](O)c1ccc(cc1)S(=O)(C)=O

Molekylvægt (g/mol) 357.44
CAS 85-63-2
Synonym (1R)-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline,(R)-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline,1βH-Laudanosine,(-)-Laudanosine,D-(-)-Laudanosine,D-Laudanosine,O-Methyllaudanidine,R-(-)-Laudanosine,l-N-Methyltetrahydropapaverine
SMIL Cl.FC[C@H](N)[C@@H](O)c1ccc(cc1)S(=O)(C)=O
Molekylær formel C21H27NO4
10

Papaverine, TRC

CAS: 58-74-2 Molekylær formel: C20 H21 N O4 Molekylvægt (g/mol): 339.38 Synonym: Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-,Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI),1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline,6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline,6,7-Dimethoxy-1-veratrylisoquinoline,NSC 136630,Papaverin,Papaverine IUPAC navn: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin SMIL: COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC

Molekylvægt (g/mol) 339.38
CAS 58-74-2
Synonym Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-,Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI),1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline,6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline,6,7-Dimethoxy-1-veratrylisoquinoline,NSC 136630,Papaverin,Papaverine
SMIL COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
IUPAC navn 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin
Molekylær formel C20 H21 N O4
11

Norlaudanosolin Hydrobromid, TRC

CAS: 16659-88-4 Molekylær formel: C16 H17 N O4 . Br H Molekylvægt (g/mol): 368.22 Synonym: 1-[(3,4-Dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydrobromide (1:1),1-(3,4-Dihydroxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydrobromide,1(±)-Tetrahydropapaveroline Hydrobromide,NSC 118071,Tetrahydropapaveroline Bromide,Tetrahydropapaveroline Hydrobromide IUPAC navn: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6,7-diol; hydrobromid SMIL: Br.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O

Molekylvægt (g/mol) 368.22
CAS 16659-88-4
Synonym 1-[(3,4-Dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydrobromide (1:1),1-(3,4-Dihydroxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol Hydrobromide,1(±)-Tetrahydropapaveroline Hydrobromide,NSC 118071,Tetrahydropapaveroline Bromide,Tetrahydropapaveroline Hydrobromide
SMIL Br.Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
IUPAC navn 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6,7-diol; hydrobromid
Molekylær formel C16 H17 N O4 . Br H
12

rac-Nor Laudanosinhydrochlorid, TRC

CAS: 6429-04-5 Molekylær formel: C20 H25 N O4 . Cl H Molekylvægt (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 navn: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin; hydrochlorid SMIL: Cl.COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC

Molekylvægt (g/mol) 379.88
CAS 6429-04-5
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;
SMIL Cl.COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC
IUPAC navn 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin; hydrochlorid
Molekylær formel C20 H25 N O4 . Cl H
13

Isocarbostyril, 98%

CAS: 491-30-5 Molekylær formel: C9H7NO Molekylvægt (g/mol): 145.16 InChI nøgle: 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 navn: 2H-isoquinolin-1-on SMIL: C1=CC=C2C(=C1)C=CNC2=O

PubChem CID 10284
Molekylvægt (g/mol) 145.16
CAS 491-30-5
ChEBI CHEBI:18350
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
SMIL C1=CC=C2C(=C1)C=CNC2=O
IUPAC navn 2H-isoquinolin-1-on
InChI nøgle VDBNYAPERZTOOF-UHFFFAOYSA-N
Molekylær formel C9H7NO
15

3,4-Dihydro-2H-isoquinolin-1-one, 98%

CAS: 1196-38-9 Molekylær formel: C9H9NO Molekylvægt (g/mol): 147.18 InChI nøgle: 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 navn: 3,4-dihydro-2H-isoquinolin-1-on SMIL: C1CNC(=O)C2=CC=CC=C21

PubChem CID 150896
Molekylvægt (g/mol) 147.18
CAS 1196-38-9
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
SMIL C1CNC(=O)C2=CC=CC=C21
IUPAC navn 3,4-dihydro-2H-isoquinolin-1-on
InChI nøgle YWPMKTWUFVOFPL-UHFFFAOYSA-N
Molekylær formel C9H9NO