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Benzazepines

Organic heterocyclic compounds consisting of a benzene ring fused to an azepine ring; azepine rings are seven-membered rings with six carbon atoms and one nitrogen atom.
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2

7-Demethyl Ivabradine, TRC

CAS: 304462-60-0 Molecular Formula: C26 H34 N2 O5 Molecular Weight (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

CAS 304462-60-0
Molecular Weight (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
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
Molecular Formula C26 H34 N2 O5
3

N-Formyl Oxcarbazepine, TRC

CAS: 1346601-76-0 Molecular Formula: C16H12N2O3 Molecular Weight (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
Molecular Weight (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
Molecular Formula C16H12N2O3
5

N-Formyl Varenicline, TRC

CAS: 796865-82-2 Molecular Formula: C14 H13 N3 O Molecular Weight (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
Molecular Weight (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
Molecular Formula C14 H13 N3 O
6

SKF 81297C, TRC

CAS: 67287-39-2 Molecular Formula: C16H17BrClNO2 Molecular Weight (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-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide SMILES: OC1=CC2=C(C(Cl)=C1O)CCNCC2C3=CC=CC=C3.Br

CAS 67287-39-2
Molecular Weight (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
IUPAC Name 6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide
Molecular Formula C16H17BrClNO2
7

8-Methyl Varenicline Dihydrochloride, TRC

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Molecular Weight (g/mol) 298.21
InChI Formula 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
Chemical Name or Material 8-Methyl Varenicline Dihydrochloride
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
Recommended Storage -20°C
IUPAC Name 8-methyl-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline dihydrochloride
Molecular Formula C14H15N3 • 2HCl
Formula Weight 297.08
8

10-Oxo-10,11-Dihydro-5H-dibenz[b,f]azepine, TRC

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

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

Dehydro Ivabradine, TRC

CAS: 1086026-31-4 Molecular Formula: C27 H34 N2 O5 Molecular Weight (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

CAS 1086026-31-4
Molecular Weight (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
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
Molecular Formula C27 H34 N2 O5
10

Imipramine N-b-D-Glucuronide (>85%), TRC

CAS: 165602-94-8 Molecular Formula: C25H32N2O6 Molecular Weight (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
Molecular Weight (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;
Molecular Formula C25H32N2O6
11

Opipramol, TRC

CAS: 315-72-0 Molecular Formula: C23 H29 N3 O Molecular Weight (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

CAS 315-72-0
Molecular Weight (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
IUPAC Name 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
Molecular Formula C23 H29 N3 O
12

10-Methoxy Carbamazepine, TRC

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

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

N-Nitrosodesipramine, TRC

CAS: 57164-17-7 Molecular Formula: C18H21N3O Molecular Weight (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-methylnitrous amide SMILES: CN(CCCN1c2ccccc2CCc3ccccc13)N=O

CAS 57164-17-7
Molecular Weight (g/mol) 295.38
SMILES CN(CCCN1c2ccccc2CCc3ccccc13)N=O
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-methylnitrous amide
Molecular Formula C18H21N3O
14

Lorcaserin, TRC

CAS: 616202-92-7 Molecular Formula: C11H14ClN Molecular Weight (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-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine SMILES: C[C@H]1CNCCc2ccc(Cl)cc12

CAS 616202-92-7
Molecular Weight (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
IUPAC Name (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Molecular Formula C11H14ClN
15

Oxcarbazepine, TRC

CAS: 28721-07-5 Molecular Formula: C15 H12 N2 O2 Molecular Weight (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]benzazepine-11-carboxamide SMILES: NC(=O)N1c2ccccc2CC(=O)c3ccccc13

CAS 28721-07-5
Molecular Weight (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
IUPAC Name 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
Molecular Formula C15 H12 N2 O2