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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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2

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
Promociones disponibles

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

N,N-Didesmethyl Diltiazem Hydrochloride, TRC

CAS: 116050-35-2 Fórmula molecular: C20H23ClN2O4S Peso molecular (g/mol): 422.93 Sinónimo: (2S-cis)-3-(Acetyloxy)-5-(2-aminoethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one Monohydrochloride,(2S,3S)-N,N-Didemethyldiltiazem Hydrochloride SMILES: CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN)C3=CC=C(C=C3)OC.Cl

Sinónimo (2S-cis)-3-(Acetyloxy)-5-(2-aminoethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one Monohydrochloride,(2S,3S)-N,N-Didemethyldiltiazem Hydrochloride
Fórmula molecular C20H23ClN2O4S
CAS 116050-35-2
Peso molecular (g/mol) 422.93
SMILES CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN)C3=CC=C(C=C3)OC.Cl
5

Diltiazem, TRC

CAS: 42399-41-7 Fórmula molecular: C22 H26 N2 O4 S Peso molecular (g/mol): 414.52 Sinónimo: 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S,3S)-,1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-,(2S,3S)-3-(Acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one,(+)-Diltiazem,(+)-cis-Diltiazem,Adizem XL,Balcor,Cartia XT,Coras,Diltia XT,Diltiazem,Dilzem,Dilzem retard,d-Diltiazem,d-cis-Diltiazem Nombre IUPAC: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate SMILES: COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C

Sinónimo 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S,3S)-,1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-,(2S,3S)-3-(Acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one,(+)-Diltiazem,(+)-cis-Diltiazem,Adizem XL,Balcor,Cartia XT,Coras,Diltia XT,Diltiazem,Dilzem,Dilzem retard,d-Diltiazem,d-cis-Diltiazem
Fórmula molecular C22 H26 N2 O4 S
CAS 42399-41-7
Peso molecular (g/mol) 414.52
SMILES COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
Nombre IUPAC [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
6

1,2-Bis[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethane, TRC

CAS: 1371638-05-9 Fórmula molecular: C40H44N6O2S2 Peso molecular (g/mol): 704.95 Sinónimo: Quetiapine EP Impurity E; Nombre IUPAC: 6-[4-[2-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepine SMILES: C(COCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24)OCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68

Sinónimo Quetiapine EP Impurity E;
Fórmula molecular C40H44N6O2S2
CAS 1371638-05-9
Peso molecular (g/mol) 704.95
SMILES C(COCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24)OCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68
Nombre IUPAC 6-[4-[2-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepine
8

Clothiapine, TRC

CAS: 2058-52-8 Fórmula molecular: C18 H18 Cl N3 S Peso molecular (g/mol): 343.87 Sinónimo: 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine,2-Chloro-11-(4-methylpiperazino)dibenzo[b,f][1,4]thiazepine,Clothiapin,Clothiapine,Clotiapine,Deliton,Entumine,Etumine,HF 2159,LW 2159,Dibenzo[b,f][1,4]thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)- Nombre IUPAC: 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine SMILES: CN1CCN(CC1)C2=Nc3ccccc3Sc4ccc(Cl)cc24

Sinónimo 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine,2-Chloro-11-(4-methylpiperazino)dibenzo[b,f][1,4]thiazepine,Clothiapin,Clothiapine,Clotiapine,Deliton,Entumine,Etumine,HF 2159,LW 2159,Dibenzo[b,f][1,4]thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
Fórmula molecular C18 H18 Cl N3 S
CAS 2058-52-8
Peso molecular (g/mol) 343.87
SMILES CN1CCN(CC1)C2=Nc3ccccc3Sc4ccc(Cl)cc24
Nombre IUPAC 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
9

Desacetyl Diltiazem Hydrochloride, TRC

CAS: 75472-91-2 Fórmula molecular: C20 H24 N2 O3 S . Cl H Peso molecular (g/mol): 408.94 Sinónimo: 1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, hydrochloride (1:1), (2S,3S)-,1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, monohydrochloride, (2S,3S)- (9CI),1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, monohydrochloride, (2S-cis)-,Deacetyldiltiazem hydrochloride Nombre IUPAC: (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride SMILES: Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O

Sinónimo 1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, hydrochloride (1:1), (2S,3S)-,1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, monohydrochloride, (2S,3S)- (9CI),1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, monohydrochloride, (2S-cis)-,Deacetyldiltiazem hydrochloride
Fórmula molecular C20 H24 N2 O3 S . Cl H
CAS 75472-91-2
Peso molecular (g/mol) 408.94
SMILES Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O
Nombre IUPAC (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
10

Diltiazem Hydrochloride, TRC

CAS: 33286-22-5 Peso molecular (g/mol): 450.98 SMILES: Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C

CAS 33286-22-5
Peso molecular (g/mol) 450.98
SMILES Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
12

7-Hydroxy Quetiapine, 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-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-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-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol
13

3,5-dihydro-2H-1,5-benzothiazepin-4-one, 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-dihydro-2H-1,5-benzothiazepin-4-one 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-dihydro-2H-1,5-benzothiazepin-4-one
14

2-[2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethoxy]ethanol, 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]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethanol 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]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethanol
15

Dibenzo[b,f][1,4]thiazepine-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]benzothiazepin-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]benzothiazepin-6-one