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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

Capsazepine, 98+%

CAS: 138977-28-3 Molecular Formula: C19H21ClN2O2S Molecular Weight (g/mol): 376.899 MDL Number: MFCD00153778 InChI Key: DRCMAZOSEIMCHM-UHFFFAOYSA-N Synonym: capsazepine,capsazepin,n-2-4-chlorophenyl ethyl-1,3,4,5-tetrahydro-7,8-dihydroxy-2h-2-benzazepine-2-carbothioamide,unii-lfw48my844,n-2-4-chlorophenyl ethyl-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide,2-2-4-chlorophenyl ethylamino-thiocarbonyl-7,8-dihydroxy-2,3,4,5-tetrahydro-1h-2-benzazepine,n-2-4-chlorophenyl ethyl-7,8-dihydroxy-1,3,4,5-tetrahydro-2h-2-benzazepine-2-carbothioamide,capasazepine,tocris-0464 PubChem CID: 2733484 ChEBI: CHEBI:70773 IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide SMILES: C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=C(C=C3)Cl)O)O

PubChem CID 2733484
CAS 138977-28-3
Molecular Weight (g/mol) 376.899
ChEBI CHEBI:70773
MDL Number MFCD00153778
SMILES C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=C(C=C3)Cl)O)O
Synonym capsazepine,capsazepin,n-2-4-chlorophenyl ethyl-1,3,4,5-tetrahydro-7,8-dihydroxy-2h-2-benzazepine-2-carbothioamide,unii-lfw48my844,n-2-4-chlorophenyl ethyl-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide,2-2-4-chlorophenyl ethylamino-thiocarbonyl-7,8-dihydroxy-2,3,4,5-tetrahydro-1h-2-benzazepine,n-2-4-chlorophenyl ethyl-7,8-dihydroxy-1,3,4,5-tetrahydro-2h-2-benzazepine-2-carbothioamide,capasazepine,tocris-0464
IUPAC Name N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
InChI Key DRCMAZOSEIMCHM-UHFFFAOYSA-N
Molecular Formula C19H21ClN2O2S
3

2-Hydroxy Carbamazepine, TRC

CAS: 68011-66-5 Molecular Formula: C15 H12 N2 O2 Molecular Weight (g/mol): 252.27 Synonym: 2-Hydroxy-5H-dibenz[b,f]azepine-5-carboxamide,2-Hydroxycarbamazepine,5H-Dibenz[b,f]azepine-5-carboxamide, 2-hydroxy- IUPAC Name: 3-hydroxybenzo[b][1]benzazepine-11-carboxamide SMILES: NC(=O)N1c2ccccc2C=Cc3cc(O)ccc13

CAS 68011-66-5
Molecular Weight (g/mol) 252.27
SMILES NC(=O)N1c2ccccc2C=Cc3cc(O)ccc13
Synonym 2-Hydroxy-5H-dibenz[b,f]azepine-5-carboxamide,2-Hydroxycarbamazepine,5H-Dibenz[b,f]azepine-5-carboxamide, 2-hydroxy-
IUPAC Name 3-hydroxybenzo[b][1]benzazepine-11-carboxamide
Molecular Formula C15 H12 N2 O2
4

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
5

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
6

rac trans-10,11-Dihydro-10,11-dihydroxy Carbamazepine, TRC

CAS: 58955-93-4 Molecular Formula: C15 H14 N2 O3 Molecular Weight (g/mol): 270.28 Synonym: 5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10,11-dihydroxy-, (10R,11R)-rel-,5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10,11-dihydroxy-, trans-,rel-(10R,11R)-10,11-Dihydro-10,11-dihydroxy-5H-dibenz[b,f]azepine-5-carboxamide,CGP 10000,Carbamazepine-10,11-dihydro-10,11-dihydroxy,Dihydrocarbamazepine-10,11-trans-diol,trans-10,11-Dihydro-10,11-dihydroxycarbamazepine,trans-10,11-Dihydroxy-10,11-dihydrocarbamazepine,trans-Carbamazepine-10,11-dihydro-10,11-dihydroxide IUPAC Name: (5R,6R)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide SMILES: NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c3ccccc13

CAS 58955-93-4
Molecular Weight (g/mol) 270.28
SMILES NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c3ccccc13
Synonym 5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10,11-dihydroxy-, (10R,11R)-rel-,5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10,11-dihydroxy-, trans-,rel-(10R,11R)-10,11-Dihydro-10,11-dihydroxy-5H-dibenz[b,f]azepine-5-carboxamide,CGP 10000,Carbamazepine-10,11-dihydro-10,11-dihydroxy,Dihydrocarbamazepine-10,11-trans-diol,trans-10,11-Dihydro-10,11-dihydroxycarbamazepine,trans-10,11-Dihydroxy-10,11-dihydrocarbamazepine,trans-Carbamazepine-10,11-dihydro-10,11-dihydroxide
IUPAC Name (5R,6R)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
Molecular Formula C15 H14 N2 O3
7

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)
8

Zilpaterol, TRC

CAS: 119520-05-7 Molecular Formula: C14 H19 N3 O2 Molecular Weight (g/mol): 261.32 Synonym: Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, (6R,7R)-rel-Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, trans-(±)-,RU 42173,Zilpaterol,trans-(±)-Zilpaterol SMILES: CC(C)N[C@@H]1CCN2C(=O)Nc3cccc([C@H]1O)c23

CAS 119520-05-7
Molecular Weight (g/mol) 261.32
SMILES CC(C)N[C@@H]1CCN2C(=O)Nc3cccc([C@H]1O)c23
Synonym Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, (6R,7R)-rel-Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, trans-(±)-,RU 42173,Zilpaterol,trans-(±)-Zilpaterol
Molecular Formula C14 H19 N3 O2
9

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
10

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

CAS: 494-19-9 Molecular Formula: C14 H13 N Molecular Weight (g/mol): 195.26 Synonym: Iminodibenzyl,10,11-Dihydro-5H-dibenzo[b,f]azepine,Clomipramine Hydrochloride Imp. E (EP),Trimipramine Maleate Imp. F (EP),Carbamazepine Imp. E (EP) IUPAC Name: 6,11-dihydro-5H-benzo[b][1]benzazepine SMILES: C1Cc2ccccc2Nc3ccccc13

CAS 494-19-9
Molecular Weight (g/mol) 195.26
SMILES C1Cc2ccccc2Nc3ccccc13
Synonym Iminodibenzyl,10,11-Dihydro-5H-dibenzo[b,f]azepine,Clomipramine Hydrochloride Imp. E (EP),Trimipramine Maleate Imp. F (EP),Carbamazepine Imp. E (EP)
IUPAC Name 6,11-dihydro-5H-benzo[b][1]benzazepine
Molecular Formula C14 H13 N
11

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
12

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
13

cis-10,11-Dihydroxy-10,11-dihydrocarbamazepine, TRC

CAS: 58955-94-5 Molecular Formula: C15H14N2O3 Molecular Weight (g/mol): 270.28 Synonym: 5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10,11-dihydroxy-, (10R,11S)-rel-,5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10,11-dihydroxy-, cis-,rel-(10R,11S)-10,11-Dihydro-10,11-dihydroxy-5H-dibenz[b,f]azepine-5-carboxamide,CGP 5924,cis-10,11-Dihydro-10,11-dihydroxycarbamazepine,cis-10,11-Dihydroxy-10,11-dihydrocarbamazepine,cis-Carbamazepine-10,11-dihydro-10,11-dihydroxide IUPAC Name: (5S,6R)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide SMILES: NC(=O)N1c2ccccc2[C@H](O)[C@H](O)c3ccccc13

CAS 58955-94-5
Molecular Weight (g/mol) 270.28
SMILES NC(=O)N1c2ccccc2[C@H](O)[C@H](O)c3ccccc13
Synonym 5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10,11-dihydroxy-, (10R,11S)-rel-,5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10,11-dihydroxy-, cis-,rel-(10R,11S)-10,11-Dihydro-10,11-dihydroxy-5H-dibenz[b,f]azepine-5-carboxamide,CGP 5924,cis-10,11-Dihydro-10,11-dihydroxycarbamazepine,cis-10,11-Dihydroxy-10,11-dihydrocarbamazepine,cis-Carbamazepine-10,11-dihydro-10,11-dihydroxide
IUPAC Name (5S,6R)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
Molecular Formula C15H14N2O3
14

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
15

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