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Benzazepine

Organische heterozyklische Verbindungen, die aus einem Benzolring bestehen, der mit einem Azepinring fusioniert ist; Azepinringe sind siebengliedrige Ringe mit sechs Kohlenstoffatomen und einem Stickstoffatom.
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2

7-Demethyl-Ivabradin, TRC

CAS: 304462-60-0 Summenformel: C26 H34 N2 O5 Molekulargewicht (g/mol): 454.56 Synonym: 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7-hydroxy-8-methoxy-2H-3-Benzazepin-2-one IUPAC-Name: 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl-methylamino]propyl]-8-hydroxy-7-methoxy-2,5-dihydro-1H-3-benzazepin-4-one SMILES: COc1cc2CC(=O)N(CCCN(C)C[C@H]3Cc4cc(OC)c(OC)cc34)CCc2cc1O

IUPAC-Name 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl-methylamino]propyl]-8-hydroxy-7-methoxy-2,5-dihydro-1H-3-benzazepin-4-one
CAS 304462-60-0
Molekulargewicht (g/mol) 454.56
SMILES COc1cc2CC(=O)N(CCCN(C)C[C@H]3Cc4cc(OC)c(OC)cc34)CCc2cc1O
Synonym 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7-hydroxy-8-methoxy-2H-3-Benzazepin-2-one
Summenformel C26 H34 N2 O5
3

N-Formyl Oxcarbazepin, TRC

CAS: 1346601-76-0 Summenformel: C16H12N2O3 Molekulargewicht (g/mol): 280.28 Synonym: N-Formyl-10,11-dihydro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide SMILES: O=C(NC=O)N(C1=C(C2)C=CC=C1)C3=C(C2=O)C=CC=C3

CAS 1346601-76-0
Molekulargewicht (g/mol) 280.28
SMILES O=C(NC=O)N(C1=C(C2)C=CC=C1)C3=C(C2=O)C=CC=C3
Synonym N-Formyl-10,11-dihydro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide
Summenformel C16H12N2O3
5

N-Formyl Vareniclin, TRC

CAS: 796865-82-2 Summenformel: C14 H13 N3 O Molekulargewicht (g/mol): 239.27 Synonym: 6,10-Methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde, 6,7,9,10-tetrahydro-,6,7,9,10-Tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde,N-Formylvarenicline SMILES: O=CN1CC2CC(C1)c3cc4nccnc4cc23

CAS 796865-82-2
Molekulargewicht (g/mol) 239.27
SMILES O=CN1CC2CC(C1)c3cc4nccnc4cc23
Synonym 6,10-Methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde, 6,7,9,10-tetrahydro-,6,7,9,10-Tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde,N-Formylvarenicline
Summenformel C14 H13 N3 O
6

SKF 81297C, TRC

CAS: 67287-39-2 Summenformel: C16H17BrClNO2 Molekulargewicht (g/mol): 370.67 Synonym: 6-Chloro-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol Hydrobromide,6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol Hydrobromide,SKF 81297 Hydrobromide IUPAC-Name: 6-Chlor-1-Phenyl-2,3,4,5-Tetrahydro-1H-3-Benzazapin-7,8-Diol; Hydrobromid SMILES: OC1=CC2=C(C(Cl)=C1O)CCNCC2C3=CC=CC=C3.Br

IUPAC-Name 6-Chlor-1-Phenyl-2,3,4,5-Tetrahydro-1H-3-Benzazapin-7,8-Diol; Hydrobromid
CAS 67287-39-2
Molekulargewicht (g/mol) 370.67
SMILES OC1=CC2=C(C(Cl)=C1O)CCNCC2C3=CC=CC=C3.Br
Synonym 6-Chloro-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol Hydrobromide,6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol Hydrobromide,SKF 81297 Hydrobromide
Summenformel C16H17BrClNO2
7

8-Methylvareniclin-Dihydrochlorid, TRC

Hochreine organische Moleküle und analytische Standards, strategisch weltweit geliefert, um Innovation und wirtschaftlichen Erfolg zu ermöglichen.

Chemischer Name oder Material 8-Methyl Varenicline Dihydrochloride
IUPAC-Name 8-Methyl-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]chinoxalin-dihydrochlorid
Empfohlene Lagerung -20 °C
Molekulargewicht (g/mol) 298.21
SMILES CN1CC2CC(C3=CC4=NC=CN=C4C=C23)C1.Cl.Cl
Synonym 8-Methyl-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline Dihydrochloride
InChI-Formel InChI=1S/C14H15N3.2ClH/c1-17-7-9-4-10(8-17)12-6-14-13(5-11(9)12)15-2-3-16-14;;/h2-3,5-6,9-10H,4,7-8H2,1H3;2*1H
Summenformel C14H15N3 • 2HCl
Formelmasse 297.08
8

10-Oxo-10,11-Dihydro-5H-Dibenz[b,f]azepin, TRC

CAS: 21737-58-6 Summenformel: C14 H11 N O Molekulargewicht (g/mol): 209.24 Synonym: 5,11-Dihydro-10H-dibenz[b,f]azepin-10-one IUPAC-Name: 6,11-Dihydrobenzo[b][1]benzazepin-5-on SMILES: O=C1Cc2ccccc2Nc3ccccc13

IUPAC-Name 6,11-Dihydrobenzo[b][1]benzazepin-5-on
CAS 21737-58-6
Molekulargewicht (g/mol) 209.24
SMILES O=C1Cc2ccccc2Nc3ccccc13
Synonym 5,11-Dihydro-10H-dibenz[b,f]azepin-10-one
Summenformel C14 H11 N O
9

Dehydro Ivabradin, TRC

CAS: 1086026-31-4 Summenformel: C27 H34 N2 O5 Molekulargewicht (g/mol): 466.57 Synonym: 2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3-dihydro-7,8-dimethoxy-,3-[3-[[[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one,3-[3-[[[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl](methyl)amino]propyl]-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one,Dehydro Ivabradine IUPAC-Name: 3-[3-[[(7S)-3,4-Dimethoxy-7-Bicyclo[4.2.0]octa-1,3,5-Trienyl]methyl-methylamino]Propyl]-7,8-Dimethoxy-1H-3-benzazepin-2-one SMILES: COc1cc2CC(=O)N(CCCN(C)C[C@H]3Cc4cc(OC)c(OC)cc34)C=Cc2cc1OC

IUPAC-Name 3-[3-[[(7S)-3,4-Dimethoxy-7-Bicyclo[4.2.0]octa-1,3,5-Trienyl]methyl-methylamino]Propyl]-7,8-Dimethoxy-1H-3-benzazepin-2-one
CAS 1086026-31-4
Molekulargewicht (g/mol) 466.57
SMILES COc1cc2CC(=O)N(CCCN(C)C[C@H]3Cc4cc(OC)c(OC)cc34)C=Cc2cc1OC
Synonym 2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3-dihydro-7,8-dimethoxy-,3-[3-[[[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one,3-[3-[[[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl](methyl)amino]propyl]-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one,Dehydro Ivabradine
Summenformel C27 H34 N2 O5
10

Imipramin N-b-D-Glucuronid (>85 %), TRC

CAS: 165602-94-8 Summenformel: C25H32N2O6 Molekulargewicht (g/mol): 456.53 Synonym: N-β-D-Glucopyranuronosyl-10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanaminium Inner Salt,Imipramine N-Glucuronide; SMILES: C[N+](C)(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O

CAS 165602-94-8
Molekulargewicht (g/mol) 456.53
SMILES C[N+](C)(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O
Synonym N-β-D-Glucopyranuronosyl-10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanaminium Inner Salt,Imipramine N-Glucuronide;
Summenformel C25H32N2O6
11

Opipramol, TRC

CAS: 315-72-0 Summenformel: C23 H29 N3 O Molekulargewicht (g/mol): 363.5 Synonym: 1-Piperazineethanol, 4-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-,5H-Dibenz[b,f]azepine, 1-piperazineethanol deriv.,4-[3-(5H-Dibenz[b,f]azepin-5-yl)propyl]-1-piperazineethanol,Endison,G 33040,GR 33040,N-[3-[4-(2-Hydroxyethyl)piperazino]propyl]iminostilbene,NSC 169867,Opipramol,Opipramol G,Opramidol IUPAC-Name: 2-[4-(3-Benzo[b][1]Benzazepin-11-ylpropyl)piperazin-1-yl]ethanol SMILES: OCCN1CCN(CCCN2c3ccccc3C=Cc4ccccc24)CC1

IUPAC-Name 2-[4-(3-Benzo[b][1]Benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
CAS 315-72-0
Molekulargewicht (g/mol) 363.5
SMILES OCCN1CCN(CCCN2c3ccccc3C=Cc4ccccc24)CC1
Synonym 1-Piperazineethanol, 4-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-,5H-Dibenz[b,f]azepine, 1-piperazineethanol deriv.,4-[3-(5H-Dibenz[b,f]azepin-5-yl)propyl]-1-piperazineethanol,Endison,G 33040,GR 33040,N-[3-[4-(2-Hydroxyethyl)piperazino]propyl]iminostilbene,NSC 169867,Opipramol,Opipramol G,Opramidol
Summenformel C23 H29 N3 O
12

10-Methoxy-Carbamazepin, TRC

CAS: 28721-09-7 Summenformel: C16 H14 N2 O2 Molekulargewicht (g/mol): 266.29 Synonym: 10-Methoxy-5H-dibenz[b,f]azepine-5-carboxamide IUPAC-Name: 5-Methoxybenzo[b][1]Benzazepin-11-Carboxamid SMILES: COC1=Cc2ccccc2N(C(=O)N)c3ccccc13

IUPAC-Name 5-Methoxybenzo[b][1]Benzazepin-11-Carboxamid
CAS 28721-09-7
Molekulargewicht (g/mol) 266.29
SMILES COC1=Cc2ccccc2N(C(=O)N)c3ccccc13
Synonym 10-Methoxy-5H-dibenz[b,f]azepine-5-carboxamide
Summenformel C16 H14 N2 O2
13

N-Nitrosodesipramin, TRC

CAS: 57164-17-7 Summenformel: C18H21N3O Molekulargewicht (g/mol): 295.38 Synonym: 10,11-Dihydro-N-methyl-N-nitroso-5H-dibenz[b,f]azepine-5-propanamine IUPAC-Name: N-[3-(5,6-Dihydrobenzo[b][1]Benzazepin-11-yl)propyl]-N-Methyllachamid SMILES: CN(CCCN1c2ccccc2CCc3ccccc13)N=O

IUPAC-Name N-[3-(5,6-Dihydrobenzo[b][1]Benzazepin-11-yl)propyl]-N-Methyllachamid
CAS 57164-17-7
Molekulargewicht (g/mol) 295.38
SMILES CN(CCCN1c2ccccc2CCc3ccccc13)N=O
Synonym 10,11-Dihydro-N-methyl-N-nitroso-5H-dibenz[b,f]azepine-5-propanamine
Summenformel C18H21N3O
14

Lorcaserin, TRC

CAS: 616202-92-7 Summenformel: C11H14ClN Molekulargewicht (g/mol): 195.69 Synonym: 1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, (1R)-,(1R)-8-Chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine,(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine,Belviq,Lorcaserin IUPAC-Name: (5R)-7-chlor-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin SMILES: C[C@H]1CNCCc2ccc(Cl)cc12

IUPAC-Name (5R)-7-chlor-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin
CAS 616202-92-7
Molekulargewicht (g/mol) 195.69
SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Synonym 1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, (1R)-,(1R)-8-Chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine,(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine,Belviq,Lorcaserin
Summenformel C11H14ClN
15

Oxcarbazepin, TRC

CAS: 28721-07-5 Summenformel: C15 H12 N2 O2 Molekulargewicht (g/mol): 252.27 Synonym: Oxcarbazepine,10,11-Dihydro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide,GP 47680,Oxacarbazepine,Oxcarbazepine,Oxecarb,Oxetol,Trileptal IUPAC-Name: 5-oxo-6H-benzo[b][1]benzazepin-11-carboxamid SMILES: NC(=O)N1c2ccccc2CC(=O)c3ccccc13

IUPAC-Name 5-oxo-6H-benzo[b][1]benzazepin-11-carboxamid
CAS 28721-07-5
Molekulargewicht (g/mol) 252.27
SMILES NC(=O)N1c2ccccc2CC(=O)c3ccccc13
Synonym Oxcarbazepine,10,11-Dihydro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide,GP 47680,Oxacarbazepine,Oxcarbazepine,Oxecarb,Oxetol,Trileptal
Summenformel C15 H12 N2 O2