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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

3-(Phenylmethyl)-2-[(1E)-2-(3-pyridinyl)ethenyl]-4(3H)-quinazolinon, TRC

CAS: 1290541-46-6 Molekylær formel: C12 H17 N3 O6 Molekylvægt (g/mol): 299.28 Synonym: BO 2 IUPAC navn: ethyl 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylate SMIL: CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N

Molekylvægt (g/mol) 299.28
CAS 1290541-46-6
Synonym BO 2
SMIL CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N
IUPAC navn ethyl 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylate
Molekylær formel C12 H17 N3 O6
2

2-Quinoxallinecarboxaldehyd, TRC

CAS: 1593-08-4 Molekylær formel: C9H6N2O Molekylvægt (g/mol): 158.16 Synonym: 2-Formylquinoxaline,Quinoxalin-2-carboxaldehyde IUPAC navn: quinoxaline-2-carbaldehyde SMIL: O=Cc1cnc2ccccc2n1

Molekylvægt (g/mol) 158.16
CAS 1593-08-4
Synonym 2-Formylquinoxaline,Quinoxalin-2-carboxaldehyde
SMIL O=Cc1cnc2ccccc2n1
IUPAC navn quinoxaline-2-carbaldehyde
Molekylær formel C9H6N2O
3

Quinoxaline, TRC

CAS: 91-19-0 Molekylær formel: C8H6N2 Molekylvægt (g/mol): 130.15 Synonym: 1,4-Benzodiazine,1,4-Diazanaphthalene,1,4-Naphthyridine,Benzo[a]pyrazine,Benzoparadiazine,Benzopyrazine,Phenopiazine,Phenpiazine,Quinazine IUPAC navn: quinoxaline SMIL: c1ccc2nccnc2c1

Molekylvægt (g/mol) 130.15
CAS 91-19-0
Synonym 1,4-Benzodiazine,1,4-Diazanaphthalene,1,4-Naphthyridine,Benzo[a]pyrazine,Benzoparadiazine,Benzopyrazine,Phenopiazine,Phenpiazine,Quinazine
SMIL c1ccc2nccnc2c1
IUPAC navn quinoxaline
Molekylær formel C8H6N2
4

Vatalanibdihydrochlorid, TRC

CAS: 212141-51-0 Molekylær formel: C20 H15 Cl N4 . 2 Cl H Molekylvægt (g/mol): 419.73 Synonym: 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, hydrochloride (1:2),1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, dihydrochloride (9CI),Vatalanib dihydrochloride IUPAC navn: N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;dihydrochloride SMIL: Cl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1

Molekylvægt (g/mol) 419.73
CAS 212141-51-0
Synonym 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, hydrochloride (1:2),1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, dihydrochloride (9CI),Vatalanib dihydrochloride
SMIL Cl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1
IUPAC navn N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;dihydrochloride
Molekylær formel C20 H15 Cl N4 . 2 Cl H
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-ium chloride 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-ium chloride
Molekylær formel C22H23N4 . Cl
6

2-Amino-3,8-dimethylimidazo[4,5-f]quinoxalin, TRC

CAS: 77500-04-0 Molekylær formel: C11 H11 N5 Molekylvægt (g/mol): 213.24 Synonym: 3H-Imidazo[4,5-f]quinoxalin-2-amine, 3,8-dimethyl-,3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline,2-Amino-3,8-dimethylmidazo[4,5-f]quinoxaline,MeIQx IUPAC navn: 3,8-dimethylimidazo[4,5-f]quinoxalin-2-amin SMIL: Cc1cnc2ccc3c(nc(N)n3C)c2n1

Molekylvægt (g/mol) 213.24
CAS 77500-04-0
Synonym 3H-Imidazo[4,5-f]quinoxalin-2-amine, 3,8-dimethyl-,3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline,2-Amino-3,8-dimethylmidazo[4,5-f]quinoxaline,MeIQx
SMIL Cc1cnc2ccc3c(nc(N)n3C)c2n1
IUPAC navn 3,8-dimethylimidazo[4,5-f]quinoxalin-2-amin
Molekylær formel C11 H11 N5
7

6-amino-5-bromoquinoxalin, TRC

CAS: 50358-63-9 Molekylær formel: C8 H6 Br N3 Molekylvægt (g/mol): 224.06 Synonym: 5-Bromo-6-quinoxalinamine,5-Bromo-6-aminoquinoxaline,5-Bromoquinoxalin-6-amine,6-Amino-5-bromoquinoxaline IUPAC navn: 5-bromoquinoxalin-6-amin SMIL: Nc1ccc2nccnc2c1Br

Molekylvægt (g/mol) 224.06
CAS 50358-63-9
Synonym 5-Bromo-6-quinoxalinamine,5-Bromo-6-aminoquinoxaline,5-Bromoquinoxalin-6-amine,6-Amino-5-bromoquinoxaline
SMIL Nc1ccc2nccnc2c1Br
IUPAC navn 5-bromoquinoxalin-6-amin
Molekylær formel C8 H6 Br N3
8

Phenazin Ethosulfat, TRC

CAS: 10510-77-7 Molekylær formel: C14H13N2 .C2H5O4S Molekylvægt (g/mol): 334.4 Synonym: N-Ethylphenazinium Ethyl Sulfate,N-Ethylphenazonium Ethyl Sulfate,NSC 402863 IUPAC navn: (E)-3-(2,5-dimethylanilino)-1-phenylprop-2-en-1-one SMIL: Cc1ccc(C)c(N\C=C\C(=O)c2ccccc2)c1

Molekylvægt (g/mol) 334.4
CAS 10510-77-7
Synonym N-Ethylphenazinium Ethyl Sulfate,N-Ethylphenazonium Ethyl Sulfate,NSC 402863
SMIL Cc1ccc(C)c(N\C=C\C(=O)c2ccccc2)c1
IUPAC navn (E)-3-(2,5-dimethylanilino)-1-phenylprop-2-en-1-one
Molekylær formel C14H13N2 .C2H5O4S
9

Ophthazin sulfat, TRC

CAS: 7327-87-9 Molekylær formel: C8 H10 N6 . H2 O4 S Molekylvægt (g/mol): 288.28 Synonym: Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1),1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) (9CI),Phthalazine, 1,4-dihydrazino-, sulfate (1:1) (8CI),1,4-Dihydrazinophthalazine sulfate,Depressan,Dihydralazine sulfate,Dihydrazinophthalazine sulfate,Dihyzin IUPAC navn: (Z)-[(4Z)-4-hydrazinyliden-2,3-dihydrophthalazin-1-yliden] hydrazin; Svovlsyre SMIL: N\N=C\1/NN\C(=N/N)\c2ccccc12.OS(=O)(=O)O

Molekylvægt (g/mol) 288.28
CAS 7327-87-9
Synonym Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1),1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) (9CI),Phthalazine, 1,4-dihydrazino-, sulfate (1:1) (8CI),1,4-Dihydrazinophthalazine sulfate,Depressan,Dihydralazine sulfate,Dihydrazinophthalazine sulfate,Dihyzin
SMIL N\N=C\1/NN\C(=N/N)\c2ccccc12.OS(=O)(=O)O
IUPAC navn (Z)-[(4Z)-4-hydrazinyliden-2,3-dihydrophthalazin-1-yliden] hydrazin; Svovlsyre
Molekylær formel C8 H10 N6 . H2 O4 S
10

Albaconazole, TRC

CAS: 187949-02-6 Molekylær formel: C20 H16 Cl F2 N5 O2 Molekylvægt (g/mol): 431.82 IUPAC navn: 7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one SMIL: C[C@@H](N1C=Nc2cc(Cl)ccc2C1=O)[C@](O)(Cn3cncn3)c4ccc(F)cc4F

Molekylvægt (g/mol) 431.82
CAS 187949-02-6
SMIL C[C@@H](N1C=Nc2cc(Cl)ccc2C1=O)[C@](O)(Cn3cncn3)c4ccc(F)cc4F
IUPAC navn 7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one
Molekylær formel C20 H16 Cl F2 N5 O2
11

2-Amino-3,8-dimethylimidazo[4,5-f]quinoxalin-2-13C, TRC

CAS: 209977-58-2 Molekylær formel: 13C C10 H11 N5 Molekylvægt (g/mol): 214.23 Synonym: 3H-Imidazo[4,5-f]quinoxalin-2-amine-2-13C, 3,8-dimethyl- (9CI),3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine-2-13C,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline-2-13C IUPAC navn: 3,8-dimethyl(2^{13}C)imidazolo[4,5-f]quinoxalin-2-amin SMIL: Cc1cnc2ccc3c(n[13c](N)n3C)c2n1

Molekylvægt (g/mol) 214.23
CAS 209977-58-2
Synonym 3H-Imidazo[4,5-f]quinoxalin-2-amine-2-13C, 3,8-dimethyl- (9CI),3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine-2-13C,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline-2-13C
SMIL Cc1cnc2ccc3c(n[13c](N)n3C)c2n1
IUPAC navn 3,8-dimethyl(2^{13}C)imidazolo[4,5-f]quinoxalin-2-amin
Molekylær formel 13C C10 H11 N5
12

4-[(4-Klorfenyl)methyl]-2-[2-(1-methyl-2-pyrrolidinyl)ethyl]-1(2H)-phthalazinon Hydrochlorid, TRC

CAS: 117078-70-3 Molekylær formel: C22H24ClN3O . HCl Molekylvægt (g/mol): 381.9 Synonym: Azelastine 5-Member-Cyclic-Isomer Hcl IUPAC navn: 4-[(4-chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one SMIL: Cl.CN1CCCC1CCN2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O

Molekylvægt (g/mol) 381.9
CAS 117078-70-3
Synonym Azelastine 5-Member-Cyclic-Isomer Hcl
SMIL Cl.CN1CCCC1CCN2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
IUPAC navn 4-[(4-chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one
Molekylær formel C22H24ClN3O . HCl
13

Lapatinib, TRC

CAS: 231277-92-2 Molekylær formel: C29 H26 Cl F N4 O4 S Molekylvægt (g/mol): 581.06 Synonym: 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine,4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline,GSK 572016,GW 572016,GW 572016X,Lapatinib,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methanesulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine,N-[4-(3-Fluorobenzyloxy)-3-chlorophenyl]-6-[5-[[2-(methylsulfonyl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine,Tyverb IUPAC navn: N-[3-chlor-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amin SMIL: CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2

Molekylvægt (g/mol) 581.06
CAS 231277-92-2
Synonym 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine,4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline,GSK 572016,GW 572016,GW 572016X,Lapatinib,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methanesulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine,N-[4-(3-Fluorobenzyloxy)-3-chlorophenyl]-6-[5-[[2-(methylsulfonyl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine,Tyverb
SMIL CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2
IUPAC navn N-[3-chlor-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amin
Molekylær formel C29 H26 Cl F N4 O4 S
14

6,7-Dimethoxyquinazolin-2,4-dion, TRC

CAS: 28888-44-0 Molekylær formel: C10 H10 N2 O4 Molekylvægt (g/mol): 222.2 Synonym: 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione,Doxazosin Mesilate Imp. D (EP),2,4(1H,3H)-Quinazolinedione, 6,7-dimethoxy-,6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione,2,5-Dihydroxy-6,7-dimethoxyquinazoline,6,7-Dimethoxy-1H-quinazoline-2,4-dione,6,7-Dimethoxyquinazoline-2,4-diol,6,7-Dimethoxyquinazoline-2,4-dione IUPAC navn: 6,7-dimethoxy-1H-quinazoline-2,4-dione SMIL: COc1cc2NC(=O)NC(=O)c2cc1OC

Molekylvægt (g/mol) 222.2
CAS 28888-44-0
Synonym 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione,Doxazosin Mesilate Imp. D (EP),2,4(1H,3H)-Quinazolinedione, 6,7-dimethoxy-,6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione,2,5-Dihydroxy-6,7-dimethoxyquinazoline,6,7-Dimethoxy-1H-quinazoline-2,4-dione,6,7-Dimethoxyquinazoline-2,4-diol,6,7-Dimethoxyquinazoline-2,4-dione
SMIL COc1cc2NC(=O)NC(=O)c2cc1OC
IUPAC navn 6,7-dimethoxy-1H-quinazoline-2,4-dione
Molekylær formel C10 H10 N2 O4
15

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-dioxidoquinoxaline-1,4-diium-2-carboxamide 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-dioxidoquinoxaline-1,4-diium-2-carboxamide
Molekylær formel C12 H13 N3 O4