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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

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
5

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
6

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
7

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
8

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
9

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
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

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
12

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)
13

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
14

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
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