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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

2-Hidroxi Carbamazepina, TRC

CAS: 68011-66-5 Fórmula molecular: C15 H12 N2 O2 Peso molecular (g/mol): 252.27 Sinónimo: 2-Hydroxy-5H-dibenz[b,f]azepine-5-carboxamide,2-Hydroxycarbamazepine,5H-Dibenz[b,f]azepine-5-carboxamide, 2-hydroxy- Nombre IUPAC: 3-hidroxibenzo[b][1]benzazepina-11-carboxamida SMILES: NC(=O)N1c2ccccc2C=Cc3cc(O)ccc13

Sinónimo 2-Hydroxy-5H-dibenz[b,f]azepine-5-carboxamide,2-Hydroxycarbamazepine,5H-Dibenz[b,f]azepine-5-carboxamide, 2-hydroxy-
Fórmula molecular C15 H12 N2 O2
CAS 68011-66-5
Peso molecular (g/mol) 252.27
SMILES NC(=O)N1c2ccccc2C=Cc3cc(O)ccc13
Nombre IUPAC 3-hidroxibenzo[b][1]benzazepina-11-carboxamida
2

Clorhidrato de N-desmetil ivabradina, TRC

Moléculas orgánicas de alta pureza y estándares analíticos, entregados estratégicamente en todo el mundo para potenciar la innovación y el éxito comercial.

Sinónimo 2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]amino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, hydrobromide (1:1)
Fórmula molecular C26 H34 N2 O5 . Cl H
Fórmula InChI InChI=1S/C26H34N2O5.ClH/c1-30-22-11-17-6-9-28(26(29)14-18(17)12-23(22)31-2)8-5-7-27-16-20-10-19-13-24(32-3)25(33-4)15-21(19)20;/h11-13,15,20,27H,5-10,14,16H2,1-4H3;1H/t20-;/m1./s1
CAS 1246638-08-3
Nombre del producto químico o material N-Demethyl Ivabradine Hydrochloride
Almacenamiento recomendado +4 °C
Peso molecular (g/mol) 491.02
SMILES Cl.COc1cc2CCN(CCCNC[C@H]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC
Nombre IUPAC 3-[3-[[(7S)-3,4-dimetoxi-7-biciclo[4.2.0]octa-1,3,5-trienil]metilamino]propil]-7,8-dimetoxi-2,5-dihidro-1H-3-benzazepin-4-ona;clorhidrato
Formula Weight (peso de la fórmula) 490.2234
3

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
5

7-cloro-1,2,3,4-tetrahidro-1-(2-metil-4-nitrobenzoilo)-5H-1-benzazepina-5-ona, TRC

CAS: 137982-91-3 Fórmula molecular: C18H15ClN2O4 Peso molecular (g/mol): 358.78 Sinónimo: 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 Nombre IUPAC: 7-cloro-1-(2-metil-4-nitrobenzilo)-3,4-dihidro-2H-1-benzazepina-5-una SMILES: Cc1cc(ccc1C(=O)N2CCCC(=O)c3cc(Cl)ccc23)[N+](=O)[O-]

Sinónimo 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
Fórmula molecular C18H15ClN2O4
CAS 137982-91-3
Peso molecular (g/mol) 358.78
SMILES Cc1cc(ccc1C(=O)N2CCCC(=O)c3cc(Cl)ccc23)[N+](=O)[O-]
Nombre IUPAC 7-cloro-1-(2-metil-4-nitrobenzilo)-3,4-dihidro-2H-1-benzazepina-5-una
6

Imipramina Pamoate, TRC

CAS: 10075-24-8 Fórmula molecular: C61H64N4O6 Peso molecular (g/mol): 949.18 Sinónimo: 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 Nombre IUPAC: 4-[(3-carboxi-2-hidroxinaftaleno-1-il)metil]-3-hidroxinaftaleno-2-ácido carboxílico; 3-(5,6-dihidrobenzo[b][1]benzazepina-11-il)-N,N-dimetilpropano-1-amina SMILES: CN(C)CCCN1c2ccccc2CCc3ccccc13.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(=O)O)c4O

Sinónimo 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
Fórmula molecular C61H64N4O6
CAS 10075-24-8
Peso molecular (g/mol) 949.18
SMILES CN(C)CCCN1c2ccccc2CCc3ccccc13.OC(=O)c4cc5ccccc5c(Cc6c(O)c(cc7ccccc67)C(=O)O)c4O
Nombre IUPAC 4-[(3-carboxi-2-hidroxinaftaleno-1-il)metil]-3-hidroxinaftaleno-2-ácido carboxílico; 3-(5,6-dihidrobenzo[b][1]benzazepina-11-il)-N,N-dimetilpropano-1-amina
7

N-trifluoroacetil Vareniclina, TRC

CAS: 230615-70-0 Fórmula molecular: C15 H12 F3 N3 O Peso molecular (g/mol): 307.2705 Sinónimo: 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 Nombre IUPAC: 2,2,2-trifluoro-1-(5,8,14-triazatetraciclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-il)etanola SMILES: FC(F)(F)C(=O)N1CC2CC(C1)c3cc4nccnc4cc23

Sinónimo 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
Fórmula molecular C15 H12 F3 N3 O
CAS 230615-70-0
Peso molecular (g/mol) 307.2705
SMILES FC(F)(F)C(=O)N1CC2CC(C1)c3cc4nccnc4cc23
Nombre IUPAC 2,2,2-trifluoro-1-(5,8,14-triazatetraciclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaen-14-il)etanola
8

cis-10,11-Dihidroxi-10,11-dihidrocarbamazepina, TRC

CAS: 58955-94-5 Fórmula molecular: C15H14N2O3 Peso molecular (g/mol): 270.28 Sinónimo: 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 Nombre IUPAC: (5S,6R)-5,6-dihidroxi-5,6-dihidrobenzo[b][1]benzazepina-11-carboxamida SMILES: NC(=O)N1c2ccccc2[C@H](O)[C@H](O)c3ccccc13

Sinónimo 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
Fórmula molecular C15H14N2O3
CAS 58955-94-5
Peso molecular (g/mol) 270.28
SMILES NC(=O)N1c2ccccc2[C@H](O)[C@H](O)c3ccccc13
Nombre IUPAC (5S,6R)-5,6-dihidroxi-5,6-dihidrobenzo[b][1]benzazepina-11-carboxamida
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

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
11

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
12

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
13

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
14

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
15

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