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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

2-Hydroxy Desipramine, TRC

CAS: 1977-15-7 Molecular Formula: C18 H22 N2 O Molecular Weight (g/mol): 282.38 Synonym: 5H-Dibenz[b,f]azepin-2-ol, 10,11-dihydro-5-[3-(methylamino)propyl]-,10,11-Dihydro-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepin-2-ol,2-Hydroxydemethylimipramine,2-Hydroxydesipramine,2-Hydroxydesmethylimipramine,GP 36329,Hydroxydesipramine IUPAC Name: 11-[3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol SMILES: CNCCCN1c2ccccc2CCc3cc(O)ccc13

CAS 1977-15-7
Molecular Weight (g/mol) 282.38
SMILES CNCCCN1c2ccccc2CCc3cc(O)ccc13
Synonym 5H-Dibenz[b,f]azepin-2-ol, 10,11-dihydro-5-[3-(methylamino)propyl]-,10,11-Dihydro-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepin-2-ol,2-Hydroxydemethylimipramine,2-Hydroxydesipramine,2-Hydroxydesmethylimipramine,GP 36329,Hydroxydesipramine
IUPAC Name 11-[3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Molecular Formula C18 H22 N2 O
3

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
4

Nor Mianserin, TRC

CAS: 71936-92-0 Molecular Formula: C17 H18 N2 Molecular Weight (g/mol): 250.34 Synonym: Dibenzo[c,f]pyrazino[1,2-a]azepine, 1,2,3,4,10,14b-hexahydro-,1,2,3,4,10,14b-Hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine,(±)-Demethylmianserin,Demethylmianserin,Desmethylmianserin,N-Desmethylmianserin,Normianserin,Normianserine,Mianserin Hydrochloride Imp. E (EP) SMILES: C1CN2C(CN1)c3ccccc3Cc4ccccc24

CAS 71936-92-0
Molecular Weight (g/mol) 250.34
SMILES C1CN2C(CN1)c3ccccc3Cc4ccccc24
Synonym Dibenzo[c,f]pyrazino[1,2-a]azepine, 1,2,3,4,10,14b-hexahydro-,1,2,3,4,10,14b-Hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine,(±)-Demethylmianserin,Demethylmianserin,Desmethylmianserin,N-Desmethylmianserin,Normianserin,Normianserine,Mianserin Hydrochloride Imp. E (EP)
Molecular Formula C17 H18 N2
5

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
6

10-Acetoxy-5H-dibenz[b,f]azepine-5-carboxamide, TRC

CAS: 952740-00-0 Molecular Formula: C17 H14 N2 O3 Molecular Weight (g/mol): 294.3 Synonym: 10-(Acetyloxy)-5H-dibenz[b,f]azepine-5-carboxamide IUPAC Name: 10-Acetoxy-5H-dibenz[b,f]azepine-5-carboxamide SMILES: CC(=O)OC1=Cc2ccccc2N(C(=O)N)c3ccccc13

CAS 952740-00-0
Molecular Weight (g/mol) 294.3
SMILES CC(=O)OC1=Cc2ccccc2N(C(=O)N)c3ccccc13
Synonym 10-(Acetyloxy)-5H-dibenz[b,f]azepine-5-carboxamide
IUPAC Name 10-Acetoxy-5H-dibenz[b,f]azepine-5-carboxamide
Molecular Formula C17 H14 N2 O3
7

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
8

Epinastine Hydrochloride, TRC

CAS: 108929-04-0 Molecular Formula: C16 H15 N3 . Cl H Molecular Weight (g/mol): 285.77 Synonym: (13bRS)-9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine hydrochloride,1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine, 9,13b-dihydro-, monohydrochloride (9CI),Alesion,Elestat,Epinastine hydrochloride,WAL 801CL IUPAC Name: (13bRS)-9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine hydrochloride SMILES: Cl.NC1=NCC2N1c3ccccc3Cc4ccccc24

CAS 108929-04-0
Molecular Weight (g/mol) 285.77
SMILES Cl.NC1=NCC2N1c3ccccc3Cc4ccccc24
Synonym (13bRS)-9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine hydrochloride,1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine, 9,13b-dihydro-, monohydrochloride (9CI),Alesion,Elestat,Epinastine hydrochloride,WAL 801CL
IUPAC Name (13bRS)-9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine hydrochloride
Molecular Formula C16 H15 N3 . Cl H
9

7-Chloro-1,2,3,4-tetrahydro-1-(2-methyl-4-nitrobenzoyl)-5H-1-benzazepin-5-one, TRC

CAS: 137982-91-3 Molecular Formula: C18H15ClN2O4 Molecular Weight (g/mol): 358.78 Synonym: 1-(2-Methyl-4-nitrobenzoyl)-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one,7-Chloro-1-(2-methyl-4-nitrobenzoyl)-5-oxo-2,3,4,5+tetrahydro-1H-1-benzazepine,7-Chloro-1-(2-methyl-4-nitrobenzoyl)-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine IUPAC Name: 7-chloro-1-(2-methyl-4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one SMILES: Cc1cc(ccc1C(=O)N2CCCC(=O)c3cc(Cl)ccc23)[N+](=O)[O-]

CAS 137982-91-3
Molecular Weight (g/mol) 358.78
SMILES Cc1cc(ccc1C(=O)N2CCCC(=O)c3cc(Cl)ccc23)[N+](=O)[O-]
Synonym 1-(2-Methyl-4-nitrobenzoyl)-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one,7-Chloro-1-(2-methyl-4-nitrobenzoyl)-5-oxo-2,3,4,5+tetrahydro-1H-1-benzazepine,7-Chloro-1-(2-methyl-4-nitrobenzoyl)-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine
IUPAC Name 7-chloro-1-(2-methyl-4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
Molecular Formula C18H15ClN2O4
10

Fenoldopam Mesylate, TRC

CAS: 67227-57-0 Molecular Formula: C16 H16 Cl N O3 . C H4 O3 S Molecular Weight (g/mol): 401.86 Synonym: 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, methanesulfonate (1:1),1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, methanesulfonate (salt) (9CI),Corlopam,Fenoldopam mesylate,Fenoldopam methanesulfonate,Fenoldopam monomethanesulfonate,SKF 82526J IUPAC Name: 6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;methanesulfonic acid SMILES: CS(=O)(=O)O.Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23

CAS 67227-57-0
Molecular Weight (g/mol) 401.86
SMILES CS(=O)(=O)O.Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23
Synonym 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, methanesulfonate (1:1),1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, methanesulfonate (salt) (9CI),Corlopam,Fenoldopam mesylate,Fenoldopam methanesulfonate,Fenoldopam monomethanesulfonate,SKF 82526J
IUPAC Name 6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;methanesulfonic acid
Molecular Formula C16 H16 Cl N O3 . C H4 O3 S
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

Benazeprilat, TRC

CAS: 86541-78-8 Molecular Formula: C22 H24 N2 O5 Molecular Weight (g/mol): 396.44 Synonym: 1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-carboxy-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (3S)-;1H-1-Benzazepine-1-acetic acid, 3-[(1-carboxy-3-phenylpropyl)amino]-2,3,4,5-tetrahydro-2-oxo-, [S-(R*,R*)]-,Benazeprilat,Benazeprilate,CGS 14831,Benazepril Related Compound C (USP),Benazepril Hydrochloride Imp. C (EP) IUPAC Name: (2S)-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid SMILES: OC(=O)CN1C(=O)[C@H](CCc2ccccc12)N[C@@H](CCc3ccccc3)C(=O)O

CAS 86541-78-8
Molecular Weight (g/mol) 396.44
SMILES OC(=O)CN1C(=O)[C@H](CCc2ccccc12)N[C@@H](CCc3ccccc3)C(=O)O
Synonym 1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-carboxy-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (3S)-;1H-1-Benzazepine-1-acetic acid, 3-[(1-carboxy-3-phenylpropyl)amino]-2,3,4,5-tetrahydro-2-oxo-, [S-(R*,R*)]-,Benazeprilat,Benazeprilate,CGS 14831,Benazepril Related Compound C (USP),Benazepril Hydrochloride Imp. C (EP)
IUPAC Name (2S)-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid
Molecular Formula C22 H24 N2 O5
14

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
15

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