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Benzotiacepinas

Compuestos heterocíclicos orgánicos aromáticos que están formados por benceno fusionado con un anillo de tiazepina; las tiazepinas se sustituyen por tiepinas, donde un nitrógeno reemplaza un carbono en el compuesto heterocíclico de siete miembros.
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1

ácido (4-oxo-2,3,4,5-tetrahidro-1,5-benzotiazepin-3-il)acético, 97 %, Thermo Scientific™

CAS: 17547-79-4 Fórmula molecular: C11H11NO3S Peso molecular (g/mol): 237.27 Número MDL: MFCD01416244 Clave InChI: VCSCQLDBPVHQPW-UHFFFAOYNA-N Sinónimo: 4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetic acid,benzo b perhydrothiazepin-4-one-3-acetic acid,4-oxo-3,5-dihydro-2h-1,5-benzothiazepin-3-yl acetic acid,1,5-benzothiazepine-3-aceticacid, 2,3,4,5-tetrahydro-4-oxo,2-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetic acid,2-4-oxo-2h,3h,5h-benzo b 1,4-thiazepin-3-yl acetic acid,2-4-oxo-3,5-dihydro-2h-1,5-benzothiazepin-3-yl acetic acid,4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-3-acetic acid,4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetic acid #,1,5-benzothiazepine-3-acetic acid, 2,3,4,5-tetrahydro-4-oxo PubChem CID: 580528 Nombre IUPAC: ácido 2-(4-oxo-3,5-dihidro-2H-1,5-benzotiazepin-3-il)acético SMILES: OC(=O)CC1CSC2=CC=CC=C2NC1=O

Sinónimo 4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetic acid,benzo b perhydrothiazepin-4-one-3-acetic acid,4-oxo-3,5-dihydro-2h-1,5-benzothiazepin-3-yl acetic acid,1,5-benzothiazepine-3-aceticacid, 2,3,4,5-tetrahydro-4-oxo,2-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetic acid,2-4-oxo-2h,3h,5h-benzo b 1,4-thiazepin-3-yl acetic acid,2-4-oxo-3,5-dihydro-2h-1,5-benzothiazepin-3-yl acetic acid,4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-3-acetic acid,4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetic acid #,1,5-benzothiazepine-3-acetic acid, 2,3,4,5-tetrahydro-4-oxo
Clave InChI VCSCQLDBPVHQPW-UHFFFAOYNA-N
PubChem CID 580528
Fórmula molecular C11H11NO3S
CAS 17547-79-4
Peso molecular (g/mol) 237.27
Número MDL MFCD01416244
SMILES OC(=O)CC1CSC2=CC=CC=C2NC1=O
Nombre IUPAC ácido 2-(4-oxo-3,5-dihidro-2H-1,5-benzotiazepin-3-il)acético
3

Thermo Scientific Chemicals Clorhidrato de diltiazem, 98 %

CAS: 33286-22-5 Fórmula molecular: C22H26N2O4S·HCl Peso molecular (g/mol): 450.99 Número MDL: MFCD00069252 Clave InChI: HDRXZJPWHTXQRI-BHDTVMLSSA-N Sinónimo: diltiazem hydrochloride,diltiazem hcl,herbesser,dilzene,lacerol,masdil,tildiem,tiazac,mono-tildiem,bi-tildiem PubChem CID: 62920 ChEBI: CHEBI:645509 Nombre IUPAC: [(2S,3S)-5-[2-(dimetilamino)etil]-2-(4-metoxifenil)-4-oxo-2,3-dihidro-1,5-benzotiazepin-3-il] acetata; clorhidrato SMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl

Sinónimo diltiazem hydrochloride,diltiazem hcl,herbesser,dilzene,lacerol,masdil,tildiem,tiazac,mono-tildiem,bi-tildiem
Clave InChI HDRXZJPWHTXQRI-BHDTVMLSSA-N
PubChem CID 62920
Fórmula molecular C22H26N2O4S·HCl
CAS 33286-22-5
ChEBI CHEBI:645509
Peso molecular (g/mol) 450.99
Número MDL MFCD00069252
SMILES CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
Nombre IUPAC [(2S,3S)-5-[2-(dimetilamino)etil]-2-(4-metoxifenil)-4-oxo-2,3-dihidro-1,5-benzotiazepin-3-il] acetata; clorhidrato
4

3,5-dihidro-2H-1,5-benzotiazepina-4-una, TRC

CAS: 53454-43-6 Fórmula molecular: C9H9NOS Peso molecular (g/mol): 179.24 Sinónimo: 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one Nombre IUPAC: 3,5-dihidro-2H-1,5-benzotiazepina-4-una SMILES: O=C1CCSc2ccccc2N1

Sinónimo 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one
Fórmula molecular C9H9NOS
CAS 53454-43-6
Peso molecular (g/mol) 179.24
SMILES O=C1CCSc2ccccc2N1
Nombre IUPAC 3,5-dihidro-2H-1,5-benzotiazepina-4-una
5

Dibenzo[b,f][1,4]tiazepina-11-[10H]one, TRC

CAS: 3159-07-7 Fórmula molecular: C13 H9 N O S Peso molecular (g/mol): 227.28 Sinónimo: Dibenzo[b,f][1,4]thiazepin-11(10H)-one,Quetiapine Fumarate Imp. G (EP) Nombre IUPAC: 5H-benzo[b][1,4]benzotiazepina-6-one SMILES: O=C1Nc2ccccc2Sc3ccccc13

Sinónimo Dibenzo[b,f][1,4]thiazepin-11(10H)-one,Quetiapine Fumarate Imp. G (EP)
Fórmula molecular C13 H9 N O S
CAS 3159-07-7
Peso molecular (g/mol) 227.28
SMILES O=C1Nc2ccccc2Sc3ccccc13
Nombre IUPAC 5H-benzo[b][1,4]benzotiazepina-6-one
6

2-[2-[2-[2-(4-Dibenzo[b,f][1,4]tiazepina-11-il-1-piperazinil)etoxi]etoxi]etoxi]etanol, TRC

CAS: 1356906-17-6 Fórmula molecular: C25 H33 N3 O4 S Peso molecular (g/mol): 471.612 Sinónimo: 2-[2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethoxy]ethanol,Ethanol, 2-[2-[2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethoxy]-,Quetiapine Fumarate Imp. J (EP) Nombre IUPAC: 2-[2-[2-[2-(4-benzo[b][1,4]benzotiazepina-6-ilpiperazina-1-il)etoxi]etoxi]etanol SMILES: OCCOCCOCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24

Sinónimo 2-[2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethoxy]ethanol,Ethanol, 2-[2-[2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethoxy]-,Quetiapine Fumarate Imp. J (EP)
Fórmula molecular C25 H33 N3 O4 S
CAS 1356906-17-6
Peso molecular (g/mol) 471.612
SMILES OCCOCCOCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24
Nombre IUPAC 2-[2-[2-[2-(4-benzo[b][1,4]benzotiazepina-6-ilpiperazina-1-il)etoxi]etoxi]etanol
7

7-Hidroxi Quetiapina, TRC

CAS: 139079-39-3 Fórmula molecular: C21 H25 N3 O3 S Peso molecular (g/mol): 399.51 Sinónimo: 7-Hydroxyquetiapine,Dibenzo[b,f][1,4]thiazepin-7-ol, 11-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]-,11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepin-7-ol,7-Hydroxyquetiapine,ICI 214227 Nombre IUPAC: 6-[4-[2-(2-hidroxietoxi)etil]piperazina-1-il]benzo[b][1,4]benzotiazepina-2-ol SMILES: OCCOCCN1CCN(CC1)C2=Nc3ccc(O)cc3Sc4ccccc24

Sinónimo 7-Hydroxyquetiapine,Dibenzo[b,f][1,4]thiazepin-7-ol, 11-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]-,11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepin-7-ol,7-Hydroxyquetiapine,ICI 214227
Fórmula molecular C21 H25 N3 O3 S
CAS 139079-39-3
Peso molecular (g/mol) 399.51
SMILES OCCOCCN1CCN(CC1)C2=Nc3ccc(O)cc3Sc4ccccc24
Nombre IUPAC 6-[4-[2-(2-hidroxietoxi)etil]piperazina-1-il]benzo[b][1,4]benzotiazepina-2-ol
8

Desacetil Diltiazem-d4, TRC

CAS: 112259-40-2 Fórmula molecular: C20H20D4N2O3S Peso molecular (g/mol): 376.51 Sinónimo: (2S-cis)-5-[2-(Dimethylamino)ethyl-1,1,2,2-d4]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one SMILES: O[C@@H]1[C@H](C2=CC=C(OC)C=C2)SC3=C(C=CC=C3)N(C([2H])([2H])C([2H])([2H])N(C)C)C1=O

Sinónimo (2S-cis)-5-[2-(Dimethylamino)ethyl-1,1,2,2-d4]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
Fórmula molecular C20H20D4N2O3S
CAS 112259-40-2
Peso molecular (g/mol) 376.51
SMILES O[C@@H]1[C@H](C2=CC=C(OC)C=C2)SC3=C(C=CC=C3)N(C([2H])([2H])C([2H])([2H])N(C)C)C1=O
9

7-Hidroxi Quetiapina (1,0 mg/ml en metanol), TRC

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

10

Desacetil Diltiazem, TRC

CAS: 42399-40-6 Fórmula molecular: C20 H24 N2 O3 S Peso molecular (g/mol): 372.48 Sinónimo: (2S,3S)-5-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one,Diltiazem Hydrochloride Imp. F (EP),Desacetyldiltiazem,1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2S,3S)-,1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2S-cis)-,(2S,3S)-5-[2-(Dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one,Deacetyl-d-diltiazem,Deacetyldiltiazem,Diltiazem-desacetyl Nombre IUPAC: (2S,3S)-5-[2-(dimetilamino)etil]-3-hidroxi-2-(4-metoxifenilo)-2,3-dihidro-1,5-benzotiazepina-4-una SMILES: COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O

Sinónimo (2S,3S)-5-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one,Diltiazem Hydrochloride Imp. F (EP),Desacetyldiltiazem,1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2S,3S)-,1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2S-cis)-,(2S,3S)-5-[2-(Dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one,Deacetyl-d-diltiazem,Deacetyldiltiazem,Diltiazem-desacetyl
Fórmula molecular C20 H24 N2 O3 S
CAS 42399-40-6
Peso molecular (g/mol) 372.48
SMILES COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O
Nombre IUPAC (2S,3S)-5-[2-(dimetilamino)etil]-3-hidroxi-2-(4-metoxifenilo)-2,3-dihidro-1,5-benzotiazepina-4-una
11

4-Dibenzo[b,f][1,4]tiazepina-11-il-1-piperazinaetanol, TRC

CAS: 329216-67-3 Fórmula molecular: C19 H21 N3 O S Peso molecular (g/mol): 339.45 Sinónimo: 1-Piperazineethanol, 4-dibenzo[b,f][1,4]thiazepin-11-yl-,4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol,2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl]ethanol Nombre IUPAC: 2-(4-benzo[b][1,4]benzotiazepina-6-ilpiperazina-1-il)etanol SMILES: OCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24

Sinónimo 1-Piperazineethanol, 4-dibenzo[b,f][1,4]thiazepin-11-yl-,4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol,2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl]ethanol
Fórmula molecular C19 H21 N3 O S
CAS 329216-67-3
Peso molecular (g/mol) 339.45
SMILES OCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24
Nombre IUPAC 2-(4-benzo[b][1,4]benzotiazepina-6-ilpiperazina-1-il)etanol
12

Diltiazem Des[5-(2-dimetilamino)etilo], TRC

CAS: 87447-47-0 Fórmula molecular: C18 H17 N O4 S Peso molecular (g/mol): 343.4 Sinónimo: (2S,3S)-2-(4-Methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl Acetate,Diltiazem Hydrochloride Imp. B (EP) Nombre IUPAC: [(2S,3S)-2-(4-metoxifenil)-4-oxo-3,5-dihidro-2H-1,5-benzotiazepina-3-il] acetato SMILES: COc1ccc(cc1)[C@@H]2Sc3ccccc3NC(=O)[C@@H]2OC(=O)C

Sinónimo (2S,3S)-2-(4-Methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl Acetate,Diltiazem Hydrochloride Imp. B (EP)
Fórmula molecular C18 H17 N O4 S
CAS 87447-47-0
Peso molecular (g/mol) 343.4
SMILES COc1ccc(cc1)[C@@H]2Sc3ccccc3NC(=O)[C@@H]2OC(=O)C
Nombre IUPAC [(2S,3S)-2-(4-metoxifenil)-4-oxo-3,5-dihidro-2H-1,5-benzotiazepina-3-il] acetato
13

Sal de dihidrocloruro de impureza hidroxi-hidroxi-impureza de quetiapina, TRC

CAS: 329218-14-6 Fórmula molecular: C19 H21 N3 O S . 2 Cl H Peso molecular (g/mol): 412.38 Sinónimo: 1-Piperazineethanol, 4-dibenzo[b,f][1,4]thiazepin-11-yl-, hydrochloride (1:2),1-Piperazineethanol, 4-dibenzo[b,f][1,4]thiazepin-11-yl-, dihydrochloride (9CI),2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl]ethanol dihydrochloride,Quetiapine Hydroxy Impurity Dihydrochloride Salt Nombre IUPAC: 2-(4-benzo[b][1,4]benzotiazepina-6-ilpiperazina-1-il)etanol; Dihidrocloruro SMILES: Cl.Cl.OCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24

Sinónimo 1-Piperazineethanol, 4-dibenzo[b,f][1,4]thiazepin-11-yl-, hydrochloride (1:2),1-Piperazineethanol, 4-dibenzo[b,f][1,4]thiazepin-11-yl-, dihydrochloride (9CI),2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl]ethanol dihydrochloride,Quetiapine Hydroxy Impurity Dihydrochloride Salt
Fórmula molecular C19 H21 N3 O S . 2 Cl H
CAS 329218-14-6
Peso molecular (g/mol) 412.38
SMILES Cl.Cl.OCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24
Nombre IUPAC 2-(4-benzo[b][1,4]benzotiazepina-6-ilpiperazina-1-il)etanol; Dihidrocloruro
14

N-Desmetil Diltiazem Hidrocloruro, TRC

CAS: 130606-60-9 Fórmula molecular: C21 H24 N2 O4 S . Cl H Peso molecular (g/mol): 436.95 Sinónimo: (2S,3S)-2-(4-Methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl Acetate Hydrochloride,Diltiazem Hydrochloride Imp. D (EP) as Hydrochloride,N-Desmethyl-diltiazem Hydrochloride Nombre IUPAC: [(2S,3S)-2-(4-metoxifenilo)-5-[2-(metilamino)etilo]-4-oxo-2,3-dihidro-1,5-benzotiazepina-3-il] acetato; Cloruro SMILES: Cl.CNCCN1C(=O)[C@H](OC(=O)C)[C@@H](Sc2ccccc12)c3ccc(OC)cc3

Sinónimo (2S,3S)-2-(4-Methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl Acetate Hydrochloride,Diltiazem Hydrochloride Imp. D (EP) as Hydrochloride,N-Desmethyl-diltiazem Hydrochloride
Fórmula molecular C21 H24 N2 O4 S . Cl H
CAS 130606-60-9
Peso molecular (g/mol) 436.95
SMILES Cl.CNCCN1C(=O)[C@H](OC(=O)C)[C@@H](Sc2ccccc12)c3ccc(OC)cc3
Nombre IUPAC [(2S,3S)-2-(4-metoxifenilo)-5-[2-(metilamino)etilo]-4-oxo-2,3-dihidro-1,5-benzotiazepina-3-il] acetato; Cloruro
15

N-Des[2-(2-hidroxietoxi)etilo] Quetiapina Dihidrocloruro, TRC

CAS: 111974-74-4 Fórmula molecular: C17 H17 N3 S . 2 Cl H Peso molecular (g/mol): 368.32 Sinónimo: 11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine Dihydrochloride,Quetiapine Fumarate Imp. B (EP) as Dihydrochloride,Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, hydrochloride (1:2),Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, dihydrochloride (9CI),11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride,11-Piperazin-1-yl-dibenzo[b,f][1,4]thiazepine dihydrochloride,11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride,Norquetiapine dihydrochloride,N-Des[2-(2-hydroxyethoxy)ethyl]quetiapine dihydrochloride Nombre IUPAC: 6-piperazina-1-ilbenzo[b][1,4]benzotiazepina; Dihidrocloruro SMILES: Cl.Cl.C1CN(CCN1)C2=Nc3ccccc3Sc4ccccc24

Sinónimo 11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine Dihydrochloride,Quetiapine Fumarate Imp. B (EP) as Dihydrochloride,Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, hydrochloride (1:2),Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, dihydrochloride (9CI),11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride,11-Piperazin-1-yl-dibenzo[b,f][1,4]thiazepine dihydrochloride,11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride,Norquetiapine dihydrochloride,N-Des[2-(2-hydroxyethoxy)ethyl]quetiapine dihydrochloride
Fórmula molecular C17 H17 N3 S . 2 Cl H
CAS 111974-74-4
Peso molecular (g/mol) 368.32
SMILES Cl.Cl.C1CN(CCN1)C2=Nc3ccccc3Sc4ccccc24
Nombre IUPAC 6-piperazina-1-ilbenzo[b][1,4]benzotiazepina; Dihidrocloruro