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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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1

3-Chloro-5-(3-chloropropyl)-10,11-dihydro-5H-dibenz[b,f]azepine (>90%), TRC

CAS: 51551-41-8 Molecular Formula: C17 H17 Cl2 N Molecular Weight (g/mol): 306.23 IUPAC Name: 2-chloro-11-(3-chloropropyl)-5,6-dihydrobenzo[b][1]benzazepine SMILES: ClCCCN1c2ccccc2CCc3ccc(Cl)cc13

CAS 51551-41-8
Molecular Weight (g/mol) 306.23
SMILES ClCCCN1c2ccccc2CCc3ccc(Cl)cc13
IUPAC Name 2-chloro-11-(3-chloropropyl)-5,6-dihydrobenzo[b][1]benzazepine
Molecular Formula C17 H17 Cl2 N
2

Imipramine N-Oxide Hydrate, TRC

CAS: 1215681-42-7 Molecular Formula: C19H24N2O • x(H2O) Molecular Weight (g/mol): 296.411802 Synonym: 10,11-Dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine N-Oxide Hydrate,5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine 5-oxide Hydrate,Imipraminoxide Hydrate IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine oxide;hydrate SMILES: CN(CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3)(C)=O

CAS 1215681-42-7
Molecular Weight (g/mol) 296.411802
SMILES CN(CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3)(C)=O
Synonym 10,11-Dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine N-Oxide Hydrate,5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine 5-oxide Hydrate,Imipraminoxide Hydrate
IUPAC Name 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine oxide;hydrate
Molecular Formula C19H24N2O • x(H2O)
3

Imipramine Pamoate, TRC

CAS: 10075-24-8 Molecular Formula: C61H64N4O6 Molecular Weight (g/mol): 949.18 Synonym: 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-, compd. with 10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine (1:2),2-Naphthoic acid, 4,4'-methylenebis[3-hydroxy-, compd. with 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine (1:2) (8CI),2-Naphthoic acid, 4,4'-methylenebis[3-hydroxy-, compd. with 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine (7CI),5H-Dibenz[b,f]azepine, 5-[3-(dimethylamino)propyl]-10,11-dihydro-, 4,4'-methylenebis[3-hydroxy-2-naphthoate] (2:1) (8CI),5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-, 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (2:1) (9CI),Imipramine pamoate IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine SMILES: CN(C)CCCN1c2ccccc2CCc3ccccc13.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(=O)O)c4O

CAS 10075-24-8
Molecular Weight (g/mol) 949.18
SMILES CN(C)CCCN1c2ccccc2CCc3ccccc13.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(=O)O)c4O
Synonym 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-, compd. with 10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine (1:2),2-Naphthoic acid, 4,4'-methylenebis[3-hydroxy-, compd. with 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine (1:2) (8CI),2-Naphthoic acid, 4,4'-methylenebis[3-hydroxy-, compd. with 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine (7CI),5H-Dibenz[b,f]azepine, 5-[3-(dimethylamino)propyl]-10,11-dihydro-, 4,4'-methylenebis[3-hydroxy-2-naphthoate] (2:1) (8CI),5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-, 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylate] (2:1) (9CI),Imipramine pamoate
IUPAC Name 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Molecular Formula C61H64N4O6
4

4-Methoxy-2-nitroaniline(2-Nitro-p-anisidine), TRC

CAS: 96-96-8 Molecular Formula: C7 H8 N2 O3 Molecular Weight (g/mol): 168.15 Synonym: Benzenamine, 4-methoxy-2-nitro-,4-Methoxy-2-nitroaniline IUPAC Name: 4-methoxy-2-nitroaniline SMILES: COc1ccc(N)c(c1)[N+](=O)[O-]

CAS 96-96-8
Molecular Weight (g/mol) 168.15
SMILES COc1ccc(N)c(c1)[N+](=O)[O-]
Synonym Benzenamine, 4-methoxy-2-nitro-,4-Methoxy-2-nitroaniline
IUPAC Name 4-methoxy-2-nitroaniline
Molecular Formula C7 H8 N2 O3
5

10,11-Dihydro Carbamazepine, TRC

CAS: 3564-73-6 Molecular Formula: C15 H14 N2 O Molecular Weight (g/mol): 238.28 Synonym: 10,11-Dihydro-5H-dibenzo[b,f]-azepine-5-carboxamide,Carbamazepine Imp. A (EP),10,11-Dihydro-carbamazepine,Carbamazepine-10,11-dihydro IUPAC Name: 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide SMILES: NC(=O)N1c2ccccc2CCc3ccccc13

CAS 3564-73-6
Molecular Weight (g/mol) 238.28
SMILES NC(=O)N1c2ccccc2CCc3ccccc13
Synonym 10,11-Dihydro-5H-dibenzo[b,f]-azepine-5-carboxamide,Carbamazepine Imp. A (EP),10,11-Dihydro-carbamazepine,Carbamazepine-10,11-dihydro
IUPAC Name 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
Molecular Formula C15 H14 N2 O
7

Desipramine-d3, TRC

CAS: 65100-49-4 Molecular Formula: C18 2H3 H20 N3 Molecular Weight (g/mol): 284.41 Synonym: Desipramine D3 IUPAC Name: N,N-dimethyl-3-(2,3,4-trideuterio-5,6-dihydrobenzo[b][1,4]benzodiazepin-11-yl)propan-1-amine SMILES: [2H]c1cc2N(CCCN(C)C)c3ccccc3CNc2c([2H])c1[2H]

CAS 65100-49-4
Molecular Weight (g/mol) 284.41
SMILES [2H]c1cc2N(CCCN(C)C)c3ccccc3CNc2c([2H])c1[2H]
Synonym Desipramine D3
IUPAC Name N,N-dimethyl-3-(2,3,4-trideuterio-5,6-dihydrobenzo[b][1,4]benzodiazepin-11-yl)propan-1-amine
Molecular Formula C18 2H3 H20 N3
8

Carpipramine Dihydrochloride, TRC

CAS: 7075-03-8 Molecular Formula: C28 H37 Cl N4 O . 2 Cl H Molecular Weight (g/mol): 553.99 Synonym: [1,4'-Bipiperidine]-4'-carboxamide, 1'-[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]-, hydrochloride (1:2),[1,4'-Bipiperidine]-4'-carboxamide, 1'-[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]-, dihydrochloride (7CI,8CI,9CI),5H-Dibenz[b,f]azepine, [1,4'-bipiperidine]-4'-carboxamide deriv.,Carpipramine dihydrochloride,Defecton,Defekton,PZ 1511 IUPAC Name: 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride SMILES: Cl.Cl.NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccc(Cl)cc24)CC1)N5CCCCC5

CAS 7075-03-8
Molecular Weight (g/mol) 553.99
SMILES Cl.Cl.NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccc(Cl)cc24)CC1)N5CCCCC5
Synonym [1,4'-Bipiperidine]-4'-carboxamide, 1'-[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]-, hydrochloride (1:2),[1,4'-Bipiperidine]-4'-carboxamide, 1'-[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]-, dihydrochloride (7CI,8CI,9CI),5H-Dibenz[b,f]azepine, [1,4'-bipiperidine]-4'-carboxamide deriv.,Carpipramine dihydrochloride,Defecton,Defekton,PZ 1511
IUPAC Name 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
Molecular Formula C28 H37 Cl N4 O . 2 Cl H
9

N-trifluoroacetyl Varenicline, TRC

CAS: 230615-70-0 Molecular Formula: C15 H12 F3 N3 O Molecular Weight (g/mol): 307.2705 Synonym: Ethanone, 2,2,2-trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)-,6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)- (9CI),2,2,2-Trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone IUPAC Name: 2,2,2-trifluoro-1-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)ethanone SMILES: FC(F)(F)C(=O)N1CC2CC(C1)c3cc4nccnc4cc23

CAS 230615-70-0
Molecular Weight (g/mol) 307.2705
SMILES FC(F)(F)C(=O)N1CC2CC(C1)c3cc4nccnc4cc23
Synonym Ethanone, 2,2,2-trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)-,6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)- (9CI),2,2,2-Trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone
IUPAC Name 2,2,2-trifluoro-1-(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-yl)ethanone
Molecular Formula C15 H12 F3 N3 O
10

N-Desmethyl Clomipramine Hydrochloride, TRC

CAS: 29854-14-6 Molecular Formula: C18 H21 Cl N2 . Cl H Molecular Weight (g/mol): 337.29 Synonym: Desmethylclomipramine Hydrochloride IUPAC Name: 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride SMILES: Cl.CNCCCN1c2ccccc2CCc3ccc(Cl)cc13

CAS 29854-14-6
Molecular Weight (g/mol) 337.29
SMILES Cl.CNCCCN1c2ccccc2CCc3ccc(Cl)cc13
Synonym Desmethylclomipramine Hydrochloride
IUPAC Name 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride
Molecular Formula C18 H21 Cl N2 . Cl H
11

3-Hydroxy Carbamazepine, TRC

CAS: 68011-67-6 Molecular Formula: C15 H12 N2 O2 Molecular Weight (g/mol): 252.27 Synonym: 3-Hydroxycarbamazepine,5H-Dibenz[b,f]azepine-5-carboxamide, 3-hydroxy-,3-Hydroxy-5H-dibenz[b,f]azepine-5-carboxamide,3-Hydroxycarbamazepine IUPAC Name: 2-hydroxybenzo[b][1]benzazepine-11-carboxamide SMILES: NC(=O)N1c2ccccc2C=Cc3ccc(O)cc13

CAS 68011-67-6
Molecular Weight (g/mol) 252.27
SMILES NC(=O)N1c2ccccc2C=Cc3ccc(O)cc13
Synonym 3-Hydroxycarbamazepine,5H-Dibenz[b,f]azepine-5-carboxamide, 3-hydroxy-,3-Hydroxy-5H-dibenz[b,f]azepine-5-carboxamide,3-Hydroxycarbamazepine
IUPAC Name 2-hydroxybenzo[b][1]benzazepine-11-carboxamide
Molecular Formula C15 H12 N2 O2
12

N-Nitroso Iminostilbene, TRC

CAS: 38652-29-8 Molecular Formula: C14H10N2O Molecular Weight (g/mol): 222.24 Synonym: 5-Nitroso-5H-dibenz[b,f]azepine; IUPAC Name: 11-nitrosobenzo[b][1]benzazepine SMILES: O=NN1c2ccccc2C=Cc3ccccc13

CAS 38652-29-8
Molecular Weight (g/mol) 222.24
SMILES O=NN1c2ccccc2C=Cc3ccccc13
Synonym 5-Nitroso-5H-dibenz[b,f]azepine;
IUPAC Name 11-nitrosobenzo[b][1]benzazepine
Molecular Formula C14H10N2O
13

Desipramine Hydrochloride, TRC

CAS: 58-28-6 Molecular Formula: C18 H22 N2 . Cl H Molecular Weight (g/mol): 302.84 Synonym: Desipramine Hydrochloride,3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine Hydrochloride,Imipramine Hydrochloride Imp. A (EP) as Hydrochloride,5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl-, hydrochloride (1:1),5H-Dibenz[b,f]azepine, 10,11-dihydro-5-[3-(methylamino)propyl]-, monohydrochloride (8CI),5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl-, monohydrochloride (9CI),10,11-Dihydro-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepine monohydrochloride,5-[3-(Methylamino)propyl]-5H-dibenz[b,f]azepine hydrochloride,DMI hydrochloride,Demethylimipramine hydrochloride,Desimipramine-hydrochloride,Desipramine monohydrochloride,Desmethylimipramine chloride,Desmethylimipramine monohydrochloride,Desmethylimipramine-hydrochloride,EX 4355,G 35020,GMI,JB 8181,N-(γ-Methylaminopropyl)iminodibenzyl hydrochloride,NSC 114901,Norpramin,Nortrimil,Pertofran,Pertofrane,RMI 9384A IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride SMILES: Cl.CNCCCN1c2ccccc2CCc3ccccc13

CAS 58-28-6
Molecular Weight (g/mol) 302.84
SMILES Cl.CNCCCN1c2ccccc2CCc3ccccc13
Synonym Desipramine Hydrochloride,3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine Hydrochloride,Imipramine Hydrochloride Imp. A (EP) as Hydrochloride,5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl-, hydrochloride (1:1),5H-Dibenz[b,f]azepine, 10,11-dihydro-5-[3-(methylamino)propyl]-, monohydrochloride (8CI),5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl-, monohydrochloride (9CI),10,11-Dihydro-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepine monohydrochloride,5-[3-(Methylamino)propyl]-5H-dibenz[b,f]azepine hydrochloride,DMI hydrochloride,Demethylimipramine hydrochloride,Desimipramine-hydrochloride,Desipramine monohydrochloride,Desmethylimipramine chloride,Desmethylimipramine monohydrochloride,Desmethylimipramine-hydrochloride,EX 4355,G 35020,GMI,JB 8181,N-(γ-Methylaminopropyl)iminodibenzyl hydrochloride,NSC 114901,Norpramin,Nortrimil,Pertofran,Pertofrane,RMI 9384A
IUPAC Name 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride
Molecular Formula C18 H22 N2 . Cl H
14

Lorcaserin Hydrochloride (>50% ee), TRC

CAS: 846589-98-8 Molecular Formula: C11 H14 Cl N . Cl H Molecular Weight (g/mol): 232.15 Synonym: 1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, hydrochloride (1:1), (1R)-,1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, hydrochloride, (1R)- (9CI),(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride,(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride,APD 356,Lorcaserin hydrochloride IUPAC Name: (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride SMILES: Cl.C[C@H]1CNCCc2ccc(Cl)cc12

CAS 846589-98-8
Molecular Weight (g/mol) 232.15
SMILES Cl.C[C@H]1CNCCc2ccc(Cl)cc12
Synonym 1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, hydrochloride (1:1), (1R)-,1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, hydrochloride, (1R)- (9CI),(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride,(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride,APD 356,Lorcaserin hydrochloride
IUPAC Name (5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
Molecular Formula C11 H14 Cl N . Cl H
15

Lofepramine, TRC

CAS: 23047-25-8 Molecular Formula: C26 H27 Cl N2 O Molecular Weight (g/mol): 418.96 Synonym: Acetophenone, 4'-chloro-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]- (8CI),1-(4-Chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]ethanone,5-[3-[N-Methyl-N-(p-chlorophenacyl)amino]propyl]-10,11-dihydro-5H-dibenz[b,f]azepine,Amplit,Leo 640,Lofepramine,Lomont,Lopramine,Ethanone, 1-(4-chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]- IUPAC Name: 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone SMILES: CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4

CAS 23047-25-8
Molecular Weight (g/mol) 418.96
SMILES CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4
Synonym Acetophenone, 4'-chloro-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]- (8CI),1-(4-Chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]ethanone,5-[3-[N-Methyl-N-(p-chlorophenacyl)amino]propyl]-10,11-dihydro-5H-dibenz[b,f]azepine,Amplit,Leo 640,Lofepramine,Lomont,Lopramine,Ethanone, 1-(4-chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]-
IUPAC Name 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone
Molecular Formula C26 H27 Cl N2 O