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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

Capsazepine, 98+%

CAS: 138977-28-3 Fórmula molecular: C19H21ClN2O2S Peso molecular (g/mol): 376.899 Número MDL: MFCD00153778 Clave InChI: DRCMAZOSEIMCHM-UHFFFAOYSA-N Sinónimo: 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 Nombre IUPAC: 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

Sinónimo 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
Clave InChI DRCMAZOSEIMCHM-UHFFFAOYSA-N
PubChem CID 2733484
Fórmula molecular C19H21ClN2O2S
CAS 138977-28-3
ChEBI CHEBI:70773
Peso molecular (g/mol) 376.899
Número MDL MFCD00153778
SMILES C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=C(C=C3)Cl)O)O
Nombre IUPAC N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
3

3-Cloro-5-(3-cloropropilo)-10,11-dihidro-5H-dibenz[b,f]azepina (>90%), TRC

CAS: 51551-41-8 Fórmula molecular: C17 H17 Cl2 N Peso molecular (g/mol): 306.23 Nombre IUPAC: 2-cloro-11-(3-cloropropil)-5,6-dihidrobenzo[b][1]benzazepina SMILES: ClCCCN1c2ccccc2CCc3ccc(Cl)cc13

Fórmula molecular C17 H17 Cl2 N
CAS 51551-41-8
Peso molecular (g/mol) 306.23
SMILES ClCCCN1c2ccccc2CCc3ccc(Cl)cc13
Nombre IUPAC 2-cloro-11-(3-cloropropil)-5,6-dihidrobenzo[b][1]benzazepina
4

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
5

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
6

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
7

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
8

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
9

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
10

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
11

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
12

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
13

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
14

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