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Diazanaphthalenes

Organic heterocyclic compounds that consist of a naphthalene double ring in which two of the carbon atoms have been replaced with nitrogen atoms.

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1

N-Desmethyl Azelastin, TRC

CAS: 47491-38-3 Molekylær formel: C21 H22 Cl N3 O Molekylvægt (g/mol): 367.87 Synonym: 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-,4-[(4-Chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-1(2H)-phthalazinone,Demethylazelastine,Desmethylazelastine,N-Desmethyl Azelastine,N-Desmethylazelastine IUPAC navn: 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one SMIL: Clc1ccc(CC2=NN(C3CCCNCC3)C(=O)c4ccccc24)cc1

Molekylvægt (g/mol) 367.87
CAS 47491-38-3
Synonym 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-,4-[(4-Chlorophenyl)methyl]-2-(hexahydro-1H-azepin-4-yl)-1(2H)-phthalazinone,Demethylazelastine,Desmethylazelastine,N-Desmethyl Azelastine,N-Desmethylazelastine
SMIL Clc1ccc(CC2=NN(C3CCCNCC3)C(=O)c4ccccc24)cc1
IUPAC navn 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one
Molekylær formel C21 H22 Cl N3 O
3

Azelastin N-oxid (blanding af diastereomerer), TRC

CAS: 640279-88-5 Molekylær formel: C22 H24 Cl N3 O2 Molekylvægt (g/mol): 397.9 Synonym: 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1-oxido-1H-azepin-4-yl)-,Azelastine N-Oxide IUPAC navn: 4-[(4-chlorophenyl)methyl]-2-(1-methyl-1-oxidoazepan-1-ium-4-yl)phthalazin-1-one SMIL: C[N+]1([O-])CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O

Molekylvægt (g/mol) 397.9
CAS 640279-88-5
Synonym 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1-oxido-1H-azepin-4-yl)-,Azelastine N-Oxide
SMIL C[N+]1([O-])CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
IUPAC navn 4-[(4-chlorophenyl)methyl]-2-(1-methyl-1-oxidoazepan-1-ium-4-yl)phthalazin-1-one
Molekylær formel C22 H24 Cl N3 O2
4

N-De[2-(methylsulfonyl)ethyl] Lapatinib, TRC

CAS: 697299-82-4 Molekylær formel: C26H20ClFN4O2 Molekylvægt (g/mol): 474.91 Synonym: 6-[5-(Aminomethyl)-2-furanyl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-quinazolinamine,[6-(5-Aminomethylfuran-2-yl)quinazolin-4-yl][3-chloro- 4-(3-fluorobenzyloxy)phenyl]amine SMIL: Cc1nc2c3c(ccc2nc1)n(C)c(N)n3

Molekylvægt (g/mol) 474.91
CAS 697299-82-4
Synonym 6-[5-(Aminomethyl)-2-furanyl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-quinazolinamine,[6-(5-Aminomethylfuran-2-yl)quinazolin-4-yl][3-chloro- 4-(3-fluorobenzyloxy)phenyl]amine
SMIL Cc1nc2c3c(ccc2nc1)n(C)c(N)n3
Molekylær formel C26H20ClFN4O2
5

Methylen Violet 3RAX (~90%), TRC

CAS: 4569-86-2 Molekylær formel: C22H23N4 . Cl Molekylvægt (g/mol): 378.9 Synonym: 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium Chloride,C.I. 50206,Diethylsafranin,3-Amino-7-diethylamino-5-phenylphenazinium Chloride IUPAC navn: 3-amino-7-(diethylamino)-5-phenylphenazin-5-iumchlorid SMIL: CCN(C1=CC2=[N+](C3=CC=CC=C3)C4=CC(N)=CC=C4N=C2C=C1)CC.[Cl-]

Molekylvægt (g/mol) 378.9
CAS 4569-86-2
Synonym 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium Chloride,C.I. 50206,Diethylsafranin,3-Amino-7-diethylamino-5-phenylphenazinium Chloride
SMIL CCN(C1=CC2=[N+](C3=CC=CC=C3)C4=CC(N)=CC=C4N=C2C=C1)CC.[Cl-]
IUPAC navn 3-amino-7-(diethylamino)-5-phenylphenazin-5-iumchlorid
Molekylær formel C22H23N4 . Cl
6

Carbadox (teknisk kvalitet), TRC

CAS: 6804-07-5 Molekylær formel: C11 H10 N4 O4 Molekylvægt (g/mol): 262.22 Synonym: Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide (7CI),Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N1,N4-dioxide (8CI),Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide,Hydrazinecarboxylic acid, [(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester (9CI),2-Formylquinoxaline-1,4-dioxide carbomethoxyhydrazone,Carbadox,Fortigro,GS 6244,Getroxel,Mecadox,Methyl 3-(2-quinoxalinylmethylene)carbazate N1,N4-dioxide,Quinoxaline-2-carbomethoxyhydrazone 1,4-dioxide IUPAC navn: methyl N-[(E)-(1,4-dioxidoquinoxalin-1,4-diium-2-yl)methylideneamino]carbamat SMIL: COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-]

Molekylvægt (g/mol) 262.22
CAS 6804-07-5
Synonym Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide (7CI),Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N1,N4-dioxide (8CI),Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide,Hydrazinecarboxylic acid, [(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester (9CI),2-Formylquinoxaline-1,4-dioxide carbomethoxyhydrazone,Carbadox,Fortigro,GS 6244,Getroxel,Mecadox,Methyl 3-(2-quinoxalinylmethylene)carbazate N1,N4-dioxide,Quinoxaline-2-carbomethoxyhydrazone 1,4-dioxide
SMIL COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-]
IUPAC navn methyl N-[(E)-(1,4-dioxidoquinoxalin-1,4-diium-2-yl)methylideneamino]carbamat
Molekylær formel C11 H10 N4 O4
7

Cyadox, TRC

CAS: 65884-46-0 Molekylær formel: C12 H9 N5 O3 Molekylvægt (g/mol): 271.23 Synonym: Ciadox,Cyanoacetic Acid [(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide,Cyanoacetic Acid (2-Quinoxalinylmethylene)hydrazide, N,N'-Dioxide,2-Cyanoacetic Acid 2-[(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide IUPAC navn: 2-cyano-N-[(E)-(1,4-dioxidoquinoxalin-1,4-diium-2-yl)methylideneamino]acetamid SMIL: [O-][n+]1cc(\C=N\NC(=O)CC#N)[n+]([O-])c2ccccc12

Molekylvægt (g/mol) 271.23
CAS 65884-46-0
Synonym Ciadox,Cyanoacetic Acid [(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide,Cyanoacetic Acid (2-Quinoxalinylmethylene)hydrazide, N,N'-Dioxide,2-Cyanoacetic Acid 2-[(1,4-Dioxido-2-quinoxalinyl)methylene]hydrazide
SMIL [O-][n+]1cc(\C=N\NC(=O)CC#N)[n+]([O-])c2ccccc12
IUPAC navn 2-cyano-N-[(E)-(1,4-dioxidoquinoxalin-1,4-diium-2-yl)methylideneamino]acetamid
Molekylær formel C12 H9 N5 O3
8

Carbadox, TRC

CAS: 6804-07-5 Molekylær formel: C11 H10 N4 O4 Molekylvægt (g/mol): 262.22 Synonym: Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide (7CI),Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N1,N4-dioxide (8CI),Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide,Hydrazinecarboxylic acid, [(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester (9CI),2-Formylquinoxaline-1,4-dioxide carbomethoxyhydrazone,Carbadox,Fortigro,GS 6244,Getroxel,Mecadox,Methyl 3-(2-quinoxalinylmethylene)carbazate N1,N4-dioxide,Quinoxaline-2-carbomethoxyhydrazone 1,4-dioxide IUPAC navn: methyl N-[(E)-(1,4-dioxidoquinoxalin-1,4-diium-2-yl)methylideneamino]carbamat SMIL: COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-]

Molekylvægt (g/mol) 262.22
CAS 6804-07-5
Synonym Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide (7CI),Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N1,N4-dioxide (8CI),Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester, N,N'-dioxide,Hydrazinecarboxylic acid, [(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester (9CI),2-Formylquinoxaline-1,4-dioxide carbomethoxyhydrazone,Carbadox,Fortigro,GS 6244,Getroxel,Mecadox,Methyl 3-(2-quinoxalinylmethylene)carbazate N1,N4-dioxide,Quinoxaline-2-carbomethoxyhydrazone 1,4-dioxide
SMIL COC(=O)N\N=C\c1c[n+]([O-])c2ccccc2[n+]1[O-]
IUPAC navn methyl N-[(E)-(1,4-dioxidoquinoxalin-1,4-diium-2-yl)methylideneamino]carbamat
Molekylær formel C11 H10 N4 O4
9

Alfuzosin, TRC

CAS: 81403-80-7 Molekylær formel: C19H28ClN5O4 Molekylvægt (g/mol): 425.91 Synonym: 2-Furancarboxamide, N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-,N-[3-[(4-Amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-2-furancarboxamide,Alfuzosin,N-[3-[N-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-N-(methyl)amino]propyl]tetrahydrofuran-2-carboxamide,SL 77499 IUPAC navn: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamid SMIL: COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3

Molekylvægt (g/mol) 425.91
CAS 81403-80-7
Synonym 2-Furancarboxamide, N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-,N-[3-[(4-Amino-6,7-dimethoxy-2-quinazolinyl)methylamino]propyl]tetrahydro-2-furancarboxamide,Alfuzosin,N-[3-[N-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-N-(methyl)amino]propyl]tetrahydrofuran-2-carboxamide,SL 77499
SMIL COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3
IUPAC navn N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamid
Molekylær formel C19H28ClN5O4
10

N2-Methyl Alfuzosin, TRC

CAS: 72104-34-8 Molekylær formel: C19 H27 N5 O4 . Cl H Molekylvægt (g/mol): 425.91 Synonym: Alfuzosin Hydrochloride Imp. C (EP) as Hydrochloride,(2RS)-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyltetrahydrofuran-2-carboxamide Hydrochloride IUPAC navn: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyloxolane-2-carboxamid; hydrochlorid SMIL: Cl.COc1cc2nc(NCCCN(C)C(=O)C3CCCO3)nc(N)c2cc1OC

Molekylvægt (g/mol) 425.91
CAS 72104-34-8
Synonym Alfuzosin Hydrochloride Imp. C (EP) as Hydrochloride,(2RS)-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyltetrahydrofuran-2-carboxamide Hydrochloride
SMIL Cl.COc1cc2nc(NCCCN(C)C(=O)C3CCCO3)nc(N)c2cc1OC
IUPAC navn N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methyloxolane-2-carboxamid; hydrochlorid
Molekylær formel C19 H27 N5 O4 . Cl H
11

O-Desmorfolinopropyl-O-methyl-gefitinib, TRC

CAS: 153437-78-6 Molekylær formel: C16H13ClFN3O2 Molekylvægt (g/mol): 333.74 Synonym: 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-,N-(3-Chloro-4-fluorophenyl)-6,7-dimethoxy-4-quinazolinamine,N-(3-Chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine IUPAC navn: N-(3-chlor-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amin SMIL: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC

Molekylvægt (g/mol) 333.74
CAS 153437-78-6
Synonym 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-,N-(3-Chloro-4-fluorophenyl)-6,7-dimethoxy-4-quinazolinamine,N-(3-Chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
SMIL COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
IUPAC navn N-(3-chlor-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amin
Molekylær formel C16H13ClFN3O2
12

Olaquindox, TRC

CAS: 23696-28-8 Molekylær formel: C12 H13 N3 O4 Molekylvægt (g/mol): 263.25 Synonym: 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide,Bayernox,BayoNox,Bisergon,NSC 634933,Olaquindox IUPAC navn: N-(2-hydroxyethyl)-3-methyl-1,4-dioxidoquinoxalin-1,4-diium-2-carboxamid SMIL: Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]

Molekylvægt (g/mol) 263.25
CAS 23696-28-8
Synonym 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide,Bayernox,BayoNox,Bisergon,NSC 634933,Olaquindox
SMIL Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]
IUPAC navn N-(2-hydroxyethyl)-3-methyl-1,4-dioxidoquinoxalin-1,4-diium-2-carboxamid
Molekylær formel C12 H13 N3 O4
13

Dioxidin, TRC

CAS: 17311-31-8 Molekylær formel: C10 H10 N2 O4 Molekylvægt (g/mol): 222.197 Synonym: 2,3-Bis(hydroxymethyl)quinoxaline-1,4-di-N-oxide,2,3-Di(hydroxymethyl)quinoxaline 1,4-Di-N-oxide,2,3-Di(hydroxymethyl)quinoxaline Di-N-oxide,Dioxydine,Farmoxidin,Mastoxidine,Metrosept; IUPAC navn: [3-(hydroxymethyl)-1,4-dioxo-quinoxalin-2-yl]methanol SMIL: OCc1c(CO)n(=O)c2ccccc2n1=O

Molekylvægt (g/mol) 222.197
CAS 17311-31-8
Synonym 2,3-Bis(hydroxymethyl)quinoxaline-1,4-di-N-oxide,2,3-Di(hydroxymethyl)quinoxaline 1,4-Di-N-oxide,2,3-Di(hydroxymethyl)quinoxaline Di-N-oxide,Dioxydine,Farmoxidin,Mastoxidine,Metrosept;
SMIL OCc1c(CO)n(=O)c2ccccc2n1=O
IUPAC navn [3-(hydroxymethyl)-1,4-dioxo-quinoxalin-2-yl]methanol
Molekylær formel C10 H10 N2 O4
14

Alfuzosin Hydrochlorid, TRC

CAS: 81403-68-1 Molekylær formel: C19 H27 N5 O4 . Cl H Molekylvægt (g/mol): 425.91 Synonym: Alfuzosin hydrochloride,(2RS)-N-[3-[(4-Amino-6,7-dimethoxyquinazolin-2-yl)methylamino]propyl]tetrahydrofuran-2-carboxamide hydrochloride,SL 77-499-10,SL 77499-10,Urion,Uroxatral,Xatral,Alfoten IUPAC navn: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolin-2-carboxamid; hydrochlorid SMIL: Cl.COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3

Molekylvægt (g/mol) 425.91
CAS 81403-68-1
Synonym Alfuzosin hydrochloride,(2RS)-N-[3-[(4-Amino-6,7-dimethoxyquinazolin-2-yl)methylamino]propyl]tetrahydrofuran-2-carboxamide hydrochloride,SL 77-499-10,SL 77499-10,Urion,Uroxatral,Xatral,Alfoten
SMIL Cl.COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3
IUPAC navn N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolin-2-carboxamid; hydrochlorid
Molekylær formel C19 H27 N5 O4 . Cl H
15

Desbromo Brimonidin, TRC

CAS: 91147-43-2 Molekylær formel: C11 H11 N5 Molekylvægt (g/mol): 213.24 Synonym: N-(4,5-Dihydro-1H-imidazol-2-yl)-6-quinoxalinamine,UK 41511 IUPAC navn: N-quinoxalin-6-ylimidazolidin-2-imin SMIL: C1CNC(=Nc2ccc3nccnc3c2)N1

Molekylvægt (g/mol) 213.24
CAS 91147-43-2
Synonym N-(4,5-Dihydro-1H-imidazol-2-yl)-6-quinoxalinamine,UK 41511
SMIL C1CNC(=Nc2ccc3nccnc3c2)N1
IUPAC navn N-quinoxalin-6-ylimidazolidin-2-imin
Molekylær formel C11 H11 N5