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Benzodiacepinas

Compuestos heterocíclicos orgánicos que constan de un anillo de benceno fusionado a un anillo de azepina; los anillos de azepina son anillos de siete elementos con seis átomos de carbono y un átomo de nitrógeno.
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1

Dihidrocloruro de carpipramina, TRC

CAS: 7075-03-8 Fórmula molecular: C28 H37 Cl N4 O . 2 Cl H Peso molecular (g/mol): 553.99 Sinónimo: [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 Nombre IUPAC: 1-[3-(2-cloro-5,6-dihidrobenzo[b][1]benzazepina-11-il)propil]-4-piperidina-1-ilpiperidina-4-carboxamida; Dihidrocloruro SMILES: Cl.Cl.NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccc(Cl)cc24)CC1)N5CCCCC5

Sinónimo [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
Fórmula molecular C28 H37 Cl N4 O . 2 Cl H
CAS 7075-03-8
Peso molecular (g/mol) 553.99
SMILES Cl.Cl.NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccc(Cl)cc24)CC1)N5CCCCC5
Nombre IUPAC 1-[3-(2-cloro-5,6-dihidrobenzo[b][1]benzazepina-11-il)propil]-4-piperidina-1-ilpiperidina-4-carboxamida; Dihidrocloruro
2

Lofepramina, TRC

CAS: 23047-25-8 Fórmula molecular: C26 H27 Cl N2 O Peso molecular (g/mol): 418.96 Sinónimo: 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]- Nombre IUPAC: 1-(4-clorofenil)-2-[3-(5,6-dihidrobenzo[b][1]benzazepina-11-il)propil-metilamino]etanol SMILES: CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4

Sinónimo 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]-
Fórmula molecular C26 H27 Cl N2 O
CAS 23047-25-8
Peso molecular (g/mol) 418.96
SMILES CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4
Nombre IUPAC 1-(4-clorofenil)-2-[3-(5,6-dihidrobenzo[b][1]benzazepina-11-il)propil-metilamino]etanol
3

10-Acetoxi-5H-dibenz[b,f]azepina-5-carboxamida, TRC

CAS: 952740-00-0 Fórmula molecular: C17 H14 N2 O3 Peso molecular (g/mol): 294.3 Sinónimo: 10-(Acetyloxy)-5H-dibenz[b,f]azepine-5-carboxamide Nombre IUPAC: 10-Acetoxi-5H-dibenz[b,f]azepina-5-carboxamida SMILES: CC(=O)OC1=Cc2ccccc2N(C(=O)N)c3ccccc13

Sinónimo 10-(Acetyloxy)-5H-dibenz[b,f]azepine-5-carboxamide
Fórmula molecular C17 H14 N2 O3
CAS 952740-00-0
Peso molecular (g/mol) 294.3
SMILES CC(=O)OC1=Cc2ccccc2N(C(=O)N)c3ccccc13
Nombre IUPAC 10-Acetoxi-5H-dibenz[b,f]azepina-5-carboxamida
4

Hidrato de Imipramina N-Óxido, TRC

CAS: 1215681-42-7 Fórmula molecular: C19H24N2O • x(H2O) Peso molecular (g/mol): 296.411802 Sinónimo: 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 Nombre IUPAC: 3-(5,6-dihidrobenzo[b][1]benzazepina-11-il)-N,N-dimetilpropano-1-amina óxido; hidratar SMILES: CN(CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3)(C)=O

Sinónimo 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
Fórmula molecular C19H24N2O • x(H2O)
CAS 1215681-42-7
Peso molecular (g/mol) 296.411802
SMILES CN(CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3)(C)=O
Nombre IUPAC 3-(5,6-dihidrobenzo[b][1]benzazepina-11-il)-N,N-dimetilpropano-1-amina óxido; hidratar
5

4-Metoxi-2-nitroanilina (2-Nitro-p-anisidina), TRC

CAS: 96-96-8 Fórmula molecular: C7 H8 N2 O3 Peso molecular (g/mol): 168.15 Sinónimo: Benzenamine, 4-methoxy-2-nitro-,4-Methoxy-2-nitroaniline Nombre IUPAC: 4-metoxi-2-nitroanilina SMILES: COc1ccc(N)c(c1)[N+](=O)[O-]

Sinónimo Benzenamine, 4-methoxy-2-nitro-,4-Methoxy-2-nitroaniline
Fórmula molecular C7 H8 N2 O3
CAS 96-96-8
Peso molecular (g/mol) 168.15
SMILES COc1ccc(N)c(c1)[N+](=O)[O-]
Nombre IUPAC 4-metoxi-2-nitroanilina
6

N-Desmetil Clomipramina Hidrocloruro, TRC

CAS: 29854-14-6 Fórmula molecular: C18 H21 Cl N2 . Cl H Peso molecular (g/mol): 337.29 Sinónimo: Desmethylclomipramine Hydrochloride Nombre IUPAC: 3-(2-cloro-5,6-dihidrobenzo[b][1]benzazepina-11-il)-N-metilpropano-1-amina; Cloruro SMILES: Cl.CNCCCN1c2ccccc2CCc3ccc(Cl)cc13

Sinónimo Desmethylclomipramine Hydrochloride
Fórmula molecular C18 H21 Cl N2 . Cl H
CAS 29854-14-6
Peso molecular (g/mol) 337.29
SMILES Cl.CNCCCN1c2ccccc2CCc3ccc(Cl)cc13
Nombre IUPAC 3-(2-cloro-5,6-dihidrobenzo[b][1]benzazepina-11-il)-N-metilpropano-1-amina; Cloruro
7

Fenoldopam mesilato, TRC

CAS: 67227-57-0 Fórmula molecular: C16 H16 Cl N O3 . C H4 O3 S Peso molecular (g/mol): 401.86 Sinónimo: 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 Nombre IUPAC: 6-cloro-1-(4-hidroxifenilo)-2,3,4,5-tetrahidro-1H-3-benzazepina-7,8-diol; Ácido metanosulfónico SMILES: CS(=O)(=O)O.Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23

Sinónimo 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
Fórmula molecular C16 H16 Cl N O3 . C H4 O3 S
CAS 67227-57-0
Peso molecular (g/mol) 401.86
SMILES CS(=O)(=O)O.Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23
Nombre IUPAC 6-cloro-1-(4-hidroxifenilo)-2,3,4,5-tetrahidro-1H-3-benzazepina-7,8-diol; Ácido metanosulfónico
8

Clorhidrato de Lorcaserin (>50% EE), TRC

CAS: 846589-98-8 Fórmula molecular: C11 H14 Cl N . Cl H Peso molecular (g/mol): 232.15 Sinónimo: 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 Nombre IUPAC: (5R)-7-cloro-5-metil-2,3,4,5-tetrahidro-1H-3-benzazepina; Cloruro SMILES: Cl.C[C@H]1CNCCc2ccc(Cl)cc12

Sinónimo 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
Fórmula molecular C11 H14 Cl N . Cl H
CAS 846589-98-8
Peso molecular (g/mol) 232.15
SMILES Cl.C[C@H]1CNCCc2ccc(Cl)cc12
Nombre IUPAC (5R)-7-cloro-5-metil-2,3,4,5-tetrahidro-1H-3-benzazepina; Cloruro
9

Zilpaterol, TRC

CAS: 119520-05-7 Fórmula molecular: C14 H19 N3 O2 Peso molecular (g/mol): 261.32 Sinónimo: 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

Sinónimo 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
Fórmula molecular C14 H19 N3 O2
CAS 119520-05-7
Peso molecular (g/mol) 261.32
SMILES CC(C)N[C@@H]1CCN2C(=O)Nc3cccc([C@H]1O)c23
10

Desipramina-d3, TRC

CAS: 65100-49-4 Fórmula molecular: C18 2H3 H20 N3 Peso molecular (g/mol): 284.41 Sinónimo: Desipramine D3 Nombre IUPAC: N,N-dimetil-3-(2,3,4-trideuterio-5,6-dihidrobenzo[b][1,4]benzodiacepina-11-il)propano-1-amina SMILES: [2H]c1cc2N(CCCN(C)C)c3ccccc3CNc2c([2H])c1[2H]

Sinónimo Desipramine D3
Fórmula molecular C18 2H3 H20 N3
CAS 65100-49-4
Peso molecular (g/mol) 284.41
SMILES [2H]c1cc2N(CCCN(C)C)c3ccccc3CNc2c([2H])c1[2H]
Nombre IUPAC N,N-dimetil-3-(2,3,4-trideuterio-5,6-dihidrobenzo[b][1,4]benzodiacepina-11-il)propano-1-amina
11

3-Hidroxi Carbamazepina, TRC

CAS: 68011-67-6 Fórmula molecular: C15 H12 N2 O2 Peso molecular (g/mol): 252.27 Sinónimo: 3-Hydroxycarbamazepine,5H-Dibenz[b,f]azepine-5-carboxamide, 3-hydroxy-,3-Hydroxy-5H-dibenz[b,f]azepine-5-carboxamide,3-Hydroxycarbamazepine Nombre IUPAC: 2-hidroxibenzo[b][1]benzazepina-11-carboxamida SMILES: NC(=O)N1c2ccccc2C=Cc3ccc(O)cc13

Sinónimo 3-Hydroxycarbamazepine,5H-Dibenz[b,f]azepine-5-carboxamide, 3-hydroxy-,3-Hydroxy-5H-dibenz[b,f]azepine-5-carboxamide,3-Hydroxycarbamazepine
Fórmula molecular C15 H12 N2 O2
CAS 68011-67-6
Peso molecular (g/mol) 252.27
SMILES NC(=O)N1c2ccccc2C=Cc3ccc(O)cc13
Nombre IUPAC 2-hidroxibenzo[b][1]benzazepina-11-carboxamida
12

10,11-Dihidro-5H-dibenzo[b,f]azepina, TRC

CAS: 494-19-9 Fórmula molecular: C14 H13 N Peso molecular (g/mol): 195.26 Sinónimo: Iminodibenzyl,10,11-Dihydro-5H-dibenzo[b,f]azepine,Clomipramine Hydrochloride Imp. E (EP),Trimipramine Maleate Imp. F (EP),Carbamazepine Imp. E (EP) Nombre IUPAC: 6,11-dihidro-5H-benzo[b][1]benzacepina SMILES: C1Cc2ccccc2Nc3ccccc13

Sinónimo Iminodibenzyl,10,11-Dihydro-5H-dibenzo[b,f]azepine,Clomipramine Hydrochloride Imp. E (EP),Trimipramine Maleate Imp. F (EP),Carbamazepine Imp. E (EP)
Fórmula molecular C14 H13 N
CAS 494-19-9
Peso molecular (g/mol) 195.26
SMILES C1Cc2ccccc2Nc3ccccc13
Nombre IUPAC 6,11-dihidro-5H-benzo[b][1]benzacepina
14

10,11-Dihidro Carbamazepina, TRC

CAS: 3564-73-6 Fórmula molecular: C15 H14 N2 O Peso molecular (g/mol): 238.28 Sinónimo: 10,11-Dihydro-5H-dibenzo[b,f]-azepine-5-carboxamide,Carbamazepine Imp. A (EP),10,11-Dihydro-carbamazepine,Carbamazepine-10,11-dihydro Nombre IUPAC: 5,6-dihidrobenzo[b][1]benzazepina-11-carboxamida SMILES: NC(=O)N1c2ccccc2CCc3ccccc13

Sinónimo 10,11-Dihydro-5H-dibenzo[b,f]-azepine-5-carboxamide,Carbamazepine Imp. A (EP),10,11-Dihydro-carbamazepine,Carbamazepine-10,11-dihydro
Fórmula molecular C15 H14 N2 O
CAS 3564-73-6
Peso molecular (g/mol) 238.28
SMILES NC(=O)N1c2ccccc2CCc3ccccc13
Nombre IUPAC 5,6-dihidrobenzo[b][1]benzazepina-11-carboxamida
15

Clorhidrato de Epinastina, TRC

CAS: 108929-04-0 Fórmula molecular: C16 H15 N3 . Cl H Peso molecular (g/mol): 285.77 Sinónimo: (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 Nombre IUPAC: (13bRS)-9,13b-Dihidro-1H-dibenzo[c,f]imidazo[1,5-a]azepina-3-cloruro de amina SMILES: Cl.NC1=NCC2N1c3ccccc3Cc4ccccc24

Sinónimo (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
Fórmula molecular C16 H15 N3 . Cl H
CAS 108929-04-0
Peso molecular (g/mol) 285.77
SMILES Cl.NC1=NCC2N1c3ccccc3Cc4ccccc24
Nombre IUPAC (13bRS)-9,13b-Dihidro-1H-dibenzo[c,f]imidazo[1,5-a]azepina-3-cloruro de amina