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Benzothiazepines

Aromatic organic heterocyclic compounds that consist of benzene fused with a thiazepine ring; thiazepines are substituted thiepins, with a nitrogen replacing a carbon in the seven-membered heterocyclic compound.
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1 – 15 of 23 results
2

(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetic acid, 97%, Thermo Scientific™

CAS: 17547-79-4 Molecular Formula: C11H11NO3S Molecular Weight (g/mol): 237.27 MDL Number: MFCD01416244 InChI Key: VCSCQLDBPVHQPW-UHFFFAOYNA-N Synonym: 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 IUPAC Name: 2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetic acid SMILES: OC(=O)CC1CSC2=CC=CC=C2NC1=O

PubChem CID 580528
CAS 17547-79-4
Molecular Weight (g/mol) 237.27
MDL Number MFCD01416244
SMILES OC(=O)CC1CSC2=CC=CC=C2NC1=O
Synonym 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
IUPAC Name 2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetic acid
InChI Key VCSCQLDBPVHQPW-UHFFFAOYNA-N
Molecular Formula C11H11NO3S
3
Promotions Available

Thermo Scientific Chemicals Diltiazem hydrochloride, 98%

CAS: 33286-22-5 Molecular Formula: C22H26N2O4S·HCl Molecular Weight (g/mol): 450.99 MDL Number: MFCD00069252 InChI Key: HDRXZJPWHTXQRI-BHDTVMLSSA-N Synonym: diltiazem hydrochloride,diltiazem hcl,herbesser,dilzene,lacerol,masdil,tildiem,tiazac,mono-tildiem,bi-tildiem PubChem CID: 62920 ChEBI: CHEBI:645509 IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride SMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl

PubChem CID 62920
CAS 33286-22-5
Molecular Weight (g/mol) 450.99
ChEBI CHEBI:645509
MDL Number MFCD00069252
SMILES CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
Synonym diltiazem hydrochloride,diltiazem hcl,herbesser,dilzene,lacerol,masdil,tildiem,tiazac,mono-tildiem,bi-tildiem
IUPAC Name [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride
InChI Key HDRXZJPWHTXQRI-BHDTVMLSSA-N
Molecular Formula C22H26N2O4S·HCl
4

Clothiapine, TRC

CAS: 2058-52-8 Molecular Formula: C18 H18 Cl N3 S Molecular Weight (g/mol): 343.87 Synonym: 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)- IUPAC Name: 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine SMILES: CN1CCN(CC1)C2=Nc3ccccc3Sc4ccc(Cl)cc24

CAS 2058-52-8
Molecular Weight (g/mol) 343.87
SMILES CN1CCN(CC1)C2=Nc3ccccc3Sc4ccc(Cl)cc24
Synonym 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)-
IUPAC Name 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
Molecular Formula C18 H18 Cl N3 S
5

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

CAS: 1371638-05-9 Molecular Formula: C40H44N6O2S2 Molecular Weight (g/mol): 704.95 Synonym: Quetiapine EP Impurity E; IUPAC Name: 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

CAS 1371638-05-9
Molecular Weight (g/mol) 704.95
SMILES C(COCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24)OCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68
Synonym Quetiapine EP Impurity E;
IUPAC Name 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
Molecular Formula C40H44N6O2S2
6

Diltiazem, TRC

CAS: 42399-41-7 Molecular Formula: C22 H26 N2 O4 S Molecular Weight (g/mol): 414.52 Synonym: 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 IUPAC Name: [(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

CAS 42399-41-7
Molecular Weight (g/mol) 414.52
SMILES COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
Synonym 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
IUPAC Name [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Molecular Formula C22 H26 N2 O4 S
8

Desacetyl Diltiazem Hydrochloride, TRC

CAS: 75472-91-2 Molecular Formula: C20 H24 N2 O3 S . Cl H Molecular Weight (g/mol): 408.94 Synonym: 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 IUPAC Name: (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

CAS 75472-91-2
Molecular Weight (g/mol) 408.94
SMILES Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O
Synonym 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
IUPAC Name (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
Molecular Formula C20 H24 N2 O3 S . Cl H
9

Diltiazem Hydrochloride, TRC

CAS: 33286-22-5 Molecular Weight (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
Molecular Weight (g/mol) 450.98
SMILES Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
11

N,N-Didesmethyl Diltiazem Hydrochloride, TRC

CAS: 116050-35-2 Molecular Formula: C20H23ClN2O4S Molecular Weight (g/mol): 422.93 Synonym: (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

CAS 116050-35-2
Molecular Weight (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
Synonym (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
Molecular Formula C20H23ClN2O4S
12

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

CAS: 1356906-17-6 Molecular Formula: C25 H33 N3 O4 S Molecular Weight (g/mol): 471.612 Synonym: 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) IUPAC Name: 2-[2-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethanol SMILES: OCCOCCOCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24

CAS 1356906-17-6
Molecular Weight (g/mol) 471.612
SMILES OCCOCCOCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24
Synonym 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)
IUPAC Name 2-[2-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethanol
Molecular Formula C25 H33 N3 O4 S
13

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

CAS: 53454-43-6 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.24 Synonym: 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one IUPAC Name: 3,5-dihydro-2H-1,5-benzothiazepin-4-one SMILES: O=C1CCSc2ccccc2N1

CAS 53454-43-6
Molecular Weight (g/mol) 179.24
SMILES O=C1CCSc2ccccc2N1
Synonym 2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one
IUPAC Name 3,5-dihydro-2H-1,5-benzothiazepin-4-one
Molecular Formula C9H9NOS
14

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

CAS: 3159-07-7 Molecular Formula: C13 H9 N O S Molecular Weight (g/mol): 227.28 Synonym: Dibenzo[b,f][1,4]thiazepin-11(10H)-one,Quetiapine Fumarate Imp. G (EP) IUPAC Name: 5H-benzo[b][1,4]benzothiazepin-6-one SMILES: O=C1Nc2ccccc2Sc3ccccc13

CAS 3159-07-7
Molecular Weight (g/mol) 227.28
SMILES O=C1Nc2ccccc2Sc3ccccc13
Synonym Dibenzo[b,f][1,4]thiazepin-11(10H)-one,Quetiapine Fumarate Imp. G (EP)
IUPAC Name 5H-benzo[b][1,4]benzothiazepin-6-one
Molecular Formula C13 H9 N O S
15

7-Hydroxy Quetiapine, TRC

CAS: 139079-39-3 Molecular Formula: C21 H25 N3 O3 S Molecular Weight (g/mol): 399.51 Synonym: 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 IUPAC Name: 6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol SMILES: OCCOCCN1CCN(CC1)C2=Nc3ccc(O)cc3Sc4ccccc24

CAS 139079-39-3
Molecular Weight (g/mol) 399.51
SMILES OCCOCCN1CCN(CC1)C2=Nc3ccc(O)cc3Sc4ccccc24
Synonym 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
IUPAC Name 6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol
Molecular Formula C21 H25 N3 O3 S