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Diazanaphthaline

Organische heterozyklische Verbindungen, die aus einem Naphthalendoppelring bestehen, in dem zwei der Kohlenstoffatome durch Stickstoffatome ersetzt sind.
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1

Hydralazinhydrochlorid, TRC

CAS: 304-20-1 Summenformel: C8 H8 N4 . Cl H Molekulargewicht (g/mol): 196.64 Synonym: Hydralazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1(2H)-Phthalazinone, hydrazone, monohydrochloride,Phthalazine, 1-hydrazino-, monohydrochloride,(Phthalazin-1-yl)hydrazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1-Hydrazinophthalazine monohydrochloride,Apresoline hydrochloride,Apulon,Hydralazine chloride,Hydralazine hydrochloride,Hydralazine monohydrochloride,Lopres IUPAC-Name: Phthalazin-1-ylhydrazin;Hydrochlorid

IUPAC-Name Phthalazin-1-ylhydrazin;Hydrochlorid
CAS 304-20-1
Molekulargewicht (g/mol) 196.64
Synonym Hydralazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1(2H)-Phthalazinone, hydrazone, monohydrochloride,Phthalazine, 1-hydrazino-, monohydrochloride,(Phthalazin-1-yl)hydrazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1-Hydrazinophthalazine monohydrochloride,Apresoline hydrochloride,Apulon,Hydralazine chloride,Hydralazine hydrochloride,Hydralazine monohydrochloride,Lopres
Summenformel C8 H8 N4 . Cl H
2

2-Ethenyl-3,4-Dihydroquinazolin-4-on, TRC

CAS: 91634-12-7 Summenformel: C10H8N2O Molekulargewicht (g/mol): 172.18 IUPAC-Name: 2-Ethenyl-3H-Quinazolin-4-eins SMILES: Oc1nc(C=C)nc2ccccc12

IUPAC-Name 2-Ethenyl-3H-Quinazolin-4-eins
CAS 91634-12-7
Molekulargewicht (g/mol) 172.18
SMILES Oc1nc(C=C)nc2ccccc12
Summenformel C10H8N2O
3

Azelastin-N-Oxid (Mischung von Diastereomeren), TRC

CAS: 640279-88-5 Summenformel: C22 H24 Cl N3 O2 Molekulargewicht (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-Name: 4-[(4-Chlorophenyl)methyl]-2-(1-Methyl-1-oxidoazepan-1-ium-4-yl)phthalazin-1-one SMILES: C[N+]1([O-])CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O

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

Albaconazole, TRC

CAS: 187949-02-6 Summenformel: C20 H16 Cl F2 N5 O2 Molekulargewicht (g/mol): 431.82 IUPAC-Name: 7-Chloro-3-[(2R,3R)-3-(2,4-Difluorophenyl)-3-Hydroxy-4-(1,2,4-Triazol-1-yl)Butan-2-yl]Quinazolin-4-1 SMILES: C[C@@H](N1C=Nc2cc(Cl)ccc2C1=O)[C@](O)(Cn3cncn3)c4ccc(F)cc4F

IUPAC-Name 7-Chloro-3-[(2R,3R)-3-(2,4-Difluorophenyl)-3-Hydroxy-4-(1,2,4-Triazol-1-yl)Butan-2-yl]Quinazolin-4-1
CAS 187949-02-6
Molekulargewicht (g/mol) 431.82
SMILES C[C@@H](N1C=Nc2cc(Cl)ccc2C1=O)[C@](O)(Cn3cncn3)c4ccc(F)cc4F
Summenformel C20 H16 Cl F2 N5 O2
5

Azadiradion (~90 %), TRC

CAS: 26241-51-0 Summenformel: C28 H34 O5 Molekulargewicht (g/mol): 450.57 Synonym: (5α,7α,13α,17α)-7-(Acetyloxy)-21,23-epoxy-4,4,8-trimethyl-24-norchola-1,14,20,22-tetraene-3,16-dione IUPAC-Name: [(5R,7R,8R,9R,10R,13S,17R)-17-(3-Furyl)-4,4,8,10,13-Pentamethyl-3,16-Dioxo-6,7,9,11,12,17-Hexahydro-5H-Cyclopenta[a]Phenanthren-7-yl] Acetat SMILES: CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)C=C4[C@]13C)c5cocc5

IUPAC-Name [(5R,7R,8R,9R,10R,13S,17R)-17-(3-Furyl)-4,4,8,10,13-Pentamethyl-3,16-Dioxo-6,7,9,11,12,17-Hexahydro-5H-Cyclopenta[a]Phenanthren-7-yl] Acetat
CAS 26241-51-0
Molekulargewicht (g/mol) 450.57
SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)C=C4[C@]13C)c5cocc5
Synonym (5α,7α,13α,17α)-7-(Acetyloxy)-21,23-epoxy-4,4,8-trimethyl-24-norchola-1,14,20,22-tetraene-3,16-dione
Summenformel C28 H34 O5
6

Quinoxalin, TRC

CAS: 91-19-0 Summenformel: C8H6N2 Molekulargewicht (g/mol): 130.15 Synonym: 1,4-Benzodiazine,1,4-Diazanaphthalene,1,4-Naphthyridine,Benzo[a]pyrazine,Benzoparadiazine,Benzopyrazine,Phenopiazine,Phenpiazine,Quinazine IUPAC-Name: Chinoxalin SMILES: c1ccc2nccnc2c1

IUPAC-Name Chinoxalin
CAS 91-19-0
Molekulargewicht (g/mol) 130.15
SMILES c1ccc2nccnc2c1
Synonym 1,4-Benzodiazine,1,4-Diazanaphthalene,1,4-Naphthyridine,Benzo[a]pyrazine,Benzoparadiazine,Benzopyrazine,Phenopiazine,Phenpiazine,Quinazine
Summenformel C8H6N2
7

Brimonidin-2,3-Dione, TRC

CAS: 182627-95-8 Summenformel: C11 H10 Br N5 O2 Molekulargewicht (g/mol): 324.13 Synonym: 2,3-Quinoxalinedione, 5-bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-2,3-quinoxalinedione,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione IUPAC-Name: 5-Brom-6-(4,5-Dihydro-1H-Imidazol-2-Ylamino)-1,4-Dihydroquinoxalin-2,3-Dion SMILES: Brc1c(NC2=NCCN2)ccc3NC(=O)C(=O)Nc13

IUPAC-Name 5-Brom-6-(4,5-Dihydro-1H-Imidazol-2-Ylamino)-1,4-Dihydroquinoxalin-2,3-Dion
CAS 182627-95-8
Molekulargewicht (g/mol) 324.13
SMILES Brc1c(NC2=NCCN2)ccc3NC(=O)C(=O)Nc13
Synonym 2,3-Quinoxalinedione, 5-bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-2,3-quinoxalinedione,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
Summenformel C11 H10 Br N5 O2
8

O-Desmorpholinopropyl Gefitinib, TRC

CAS: 184475-71-6 Summenformel: C15 H11 Cl F N3 O2 Molekulargewicht (g/mol): 319.72 Synonym: 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-,4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol,4-(3-Chloro-4-fluoroanilino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol,N-(3-Chloro-4-fluorophenyl)-6-hydroxy-7-methoxyquinazolin-4-amine,O-Desmorpholinopropyl Gefitinib IUPAC-Name: 4-(3-Chlor-4-Fluoranilino)-7-Methoxyquinazolin-6-ol SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O

IUPAC-Name 4-(3-Chlor-4-Fluoranilino)-7-Methoxyquinazolin-6-ol
CAS 184475-71-6
Molekulargewicht (g/mol) 319.72
SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O
Synonym 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-,4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol,4-(3-Chloro-4-fluoroanilino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol,N-(3-Chloro-4-fluorophenyl)-6-hydroxy-7-methoxyquinazolin-4-amine,O-Desmorpholinopropyl Gefitinib
Summenformel C15 H11 Cl F N3 O2
9

Vatalanib-Dihydrochlorid, TRC

CAS: 212141-51-0 Summenformel: C20 H15 Cl N4 . 2 Cl H Molekulargewicht (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-Name: N-(4-Chlorophenyl)-4-(Pyridin-4-ylmethyl)phthalazin-1-amin; Dihydrochlorid SMILES: Cl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1

IUPAC-Name N-(4-Chlorophenyl)-4-(Pyridin-4-ylmethyl)phthalazin-1-amin; Dihydrochlorid
CAS 212141-51-0
Molekulargewicht (g/mol) 419.73
SMILES Cl.Cl.Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1
Synonym 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, hydrochloride (1:2),1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, dihydrochloride (9CI),Vatalanib dihydrochloride
Summenformel C20 H15 Cl N4 . 2 Cl H
10

2-Amino-3,4,8-Trimethyl-3H-Imidazo[4,5-f]Quinoxalin, TRC

CAS: 95896-78-9 Summenformel: C12 H13 N5 Molekulargewicht (g/mol): 227.27 Synonym: 3H-Imidazo[4,5-f]quinoxalin-2-amine, 3,4,8-trimethyl-,3,4,8-Trimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline,2-Amino-3,4,8-trimethylimidazo[4,5-f]quinoxaline,4,8-DiMeIQx IUPAC-Name: 3,4,8-Trimethylimidazo[4,5-f]Quinoxalin-2-Amin SMILES: Cc1cnc2cc(C)c3c(nc(N)n3C)c2n1

IUPAC-Name 3,4,8-Trimethylimidazo[4,5-f]Quinoxalin-2-Amin
CAS 95896-78-9
Molekulargewicht (g/mol) 227.27
SMILES Cc1cnc2cc(C)c3c(nc(N)n3C)c2n1
Synonym 3H-Imidazo[4,5-f]quinoxalin-2-amine, 3,4,8-trimethyl-,3,4,8-Trimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline,2-Amino-3,4,8-trimethylimidazo[4,5-f]quinoxaline,4,8-DiMeIQx
Summenformel C12 H13 N5
11

3-(Phenylmethyl)-2-[(1E)-2-(3-Pyridinyl)ethenyl]-4(3H)-Quinazolinon, TRC

CAS: 1290541-46-6 Summenformel: C12 H17 N3 O6 Molekulargewicht (g/mol): 299.28 Synonym: BO 2 IUPAC-Name: Ethyl 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-carboxylat SMILES: CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N

IUPAC-Name Ethyl 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-carboxylat
CAS 1290541-46-6
Molekulargewicht (g/mol) 299.28
SMILES CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N
Synonym BO 2
Summenformel C12 H17 N3 O6
12

Afatinib-des(4-dimethylamino-2-en-1-oxo)butyl (enthielt ~8,5 % Ethanol), TRC

CAS: 314771-76-1 Summenformel: C18H16ClFN4O2 Molekulargewicht (g/mol): 374.8 Synonym: N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine,(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine,Des(4-dimethylamino-2-en-1-oxo)butyl Afatinib IUPAC-Name: 4-N-(3-Chlor-4-Fluorophenyl)-7-[(3S)-Oxolan-3-yl]Oxyquinazolin-4,6-Diamin SMILES: ClC1=C(F)C=CC(NC2=NC=NC3=CC(O[C@H]4CCOC4)=C(N)C=C32)=C1

IUPAC-Name 4-N-(3-Chlor-4-Fluorophenyl)-7-[(3S)-Oxolan-3-yl]Oxyquinazolin-4,6-Diamin
CAS 314771-76-1
Molekulargewicht (g/mol) 374.8
SMILES ClC1=C(F)C=CC(NC2=NC=NC3=CC(O[C@H]4CCOC4)=C(N)C=C32)=C1
Synonym N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine,(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine,Des(4-dimethylamino-2-en-1-oxo)butyl Afatinib
Summenformel C18H16ClFN4O2
13

6-Iodoquinazolin-4-1, TRC

CAS: 16064-08-7 Summenformel: C8H5IN2O Molekulargewicht (g/mol): 272.05 Synonym: 6-Iodo-4(3H)-quinazolinone,6-Iodo-4(1H)-quinazolinone,6-Iodo-4-quinazolinol,6-Iodo-1H-quinazolin-4-one,6-Iodo-3,4-dihydroquinazolin-4-one,6-Iodo-3H-quinazolin-4-one,6-Iodo-4(3H)-quinazolinone,6-Iodo-4-quinazolone,6-Iodoquinazolin-4-ol SMILES: Ic1ccc2NC=NC(=O)c2c1

CAS 16064-08-7
Molekulargewicht (g/mol) 272.05
SMILES Ic1ccc2NC=NC(=O)c2c1
Synonym 6-Iodo-4(3H)-quinazolinone,6-Iodo-4(1H)-quinazolinone,6-Iodo-4-quinazolinol,6-Iodo-1H-quinazolin-4-one,6-Iodo-3,4-dihydroquinazolin-4-one,6-Iodo-3H-quinazolin-4-one,6-Iodo-4(3H)-quinazolinone,6-Iodo-4-quinazolone,6-Iodoquinazolin-4-ol
Summenformel C8H5IN2O
14

4-[(4-Chlorophenyl)methyl]-2-[2-(1-Methyl-2-Pyrrolidinyl)ethyl]-1(2H)-Phthalazinon-Hydrochlorid, TRC

CAS: 117078-70-3 Summenformel: C22H24ClN3O . HCl Molekulargewicht (g/mol): 381.9 Synonym: Azelastine 5-Member-Cyclic-Isomer Hcl IUPAC-Name: 4-[(4-Chlorophenyl)methyl]-2-[2-(1-Methylpyrrolidin-2-yl)Ethyl]Phthalazin-1-1-ein SMILES: Cl.CN1CCCC1CCN2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O

IUPAC-Name 4-[(4-Chlorophenyl)methyl]-2-[2-(1-Methylpyrrolidin-2-yl)Ethyl]Phthalazin-1-1-ein
CAS 117078-70-3
Molekulargewicht (g/mol) 381.9
SMILES Cl.CN1CCCC1CCN2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
Synonym Azelastine 5-Member-Cyclic-Isomer Hcl
Summenformel C22H24ClN3O . HCl
15

Cinoxacin, TRC

CAS: 28657-80-9 Summenformel: C12 H10 N2 O5 Molekulargewicht (g/mol): 262.22 Synonym: [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-,1-Ethyl-3-carboxy-6,7-methylenedioxy-4-cinnolone,Cinobac,Cinobactin,Cinoxacin,Compound 64716,NSC 304467,Noxigram,Uronorm IUPAC-Name: 1-Ethyl-4-oxo-[1,3]Dioxolo[4,5-g]Cinnolin-3-Carboxylsäure SMILES: CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12

IUPAC-Name 1-Ethyl-4-oxo-[1,3]Dioxolo[4,5-g]Cinnolin-3-Carboxylsäure
CAS 28657-80-9
Molekulargewicht (g/mol) 262.22
SMILES CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12
Synonym [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-,1-Ethyl-3-carboxy-6,7-methylenedioxy-4-cinnolone,Cinobac,Cinobactin,Cinoxacin,Compound 64716,NSC 304467,Noxigram,Uronorm
Summenformel C12 H10 N2 O5