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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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2

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

Clorhidrato de Desipramina, TRC

CAS: 58-28-6 Fórmula molecular: C18 H22 N2 . Cl H Peso molecular (g/mol): 302.84 Sinónimo: 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 Nombre IUPAC: 3-(5,6-dihidrobenzo[b][1]benzazepina-11-il)-N-metilpropano-1-amina; Cloruro SMILES: Cl.CNCCCN1c2ccccc2CCc3ccccc13

Sinónimo 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
Fórmula molecular C18 H22 N2 . Cl H
CAS 58-28-6
Peso molecular (g/mol) 302.84
SMILES Cl.CNCCCN1c2ccccc2CCc3ccccc13
Nombre IUPAC 3-(5,6-dihidrobenzo[b][1]benzazepina-11-il)-N-metilpropano-1-amina; Cloruro
4

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
5

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
6

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
7

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
8

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
9

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
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

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
12

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
13

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
14

rac trans-10,11-Dihidro-10,11-dihidroxi Carbamazepina, TRC

CAS: 58955-93-4 Fórmula molecular: C15 H14 N2 O3 Peso molecular (g/mol): 270.28 Sinónimo: 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 Nombre IUPAC: (5R,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,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
Fórmula molecular C15 H14 N2 O3
CAS 58955-93-4
Peso molecular (g/mol) 270.28
SMILES NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c3ccccc13
Nombre IUPAC (5R,6R)-5,6-dihidroxi-5,6-dihidrobenzo[b][1]benzazepina-11-carboxamida
15

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