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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
5

Desacetyl Diltiazem Hydrochloride, TRC

CAS: 75472-91-2 Chemical Name or Material: Desacetyl Diltiazem HCl Formula Weight: 408.1274 InChI Formula: InChI=1S/C20H24N2O3S.ClH/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14;/h4-11,18-19,23H,12-13H2,1-3H3;1H/t18-,19+;/m1./s1 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 Molecular Weight (g/mol): 408.94 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C 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

Percent Purity >95%
CAS 75472-91-2
Molecular Weight (g/mol) 408.94
InChI Formula InChI=1S/C20H24N2O3S.ClH/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14;/h4-11,18-19,23H,12-13H2,1-3H3;1H/t18-,19+;/m1./s1
Chemical Name or Material Desacetyl Diltiazem HCl
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
SMILES Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C20 H24 N2 O3 S . Cl H
IUPAC Name (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
Formula Weight 408.1274
6

Diltiazem Hydrochloride, TRC

CAS: 33286-22-5 Chemical Name or Material: Diltiazem HCl Formula Weight: 450.138 Molecular Formula: C22H27ClN2O4S Molecular Weight (g/mol): 450.98 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C SMILES: Cl.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)-, hydrochloride (1:1), (2S,3S)-,1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2S,3S)- (9CI),1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2S-cis)-,(+)-Diltiazem hydrochloride,(2S,3S)-(+)-cis-Diltiazem hydrochloride,(S,S)-Diltiazem hydrochloride,Adizem,Altiazem,Anginyl,Angipress,Angizem,Bi-Teldiem,Blocalcin 60,Britiazim,Bruzem,CRD 401,Calcicard,Cardizem,Cardizem CD,Cardizem SR,Citizem,Cormax,Deltazen,Dicard,Dilacor,Dilacor XR,Diladel,Dilcardia,Dilgard,Dilpral,Dilrene,Diltiazem hydrochloride,Dilzacard,Dilzene,Herbesser,Kaizem,Kardil,Masdil,RG 83606,Tiazac,Tildiem,d-cis-3-Acetoxy-2,3-dihydro-5-[2-(dimethylamino)ethyl]-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one hydrochloride,d-cis-Diltiazem hydrochloride

Percent Purity >95%
CAS 33286-22-5
Molecular Weight (g/mol) 450.98
Chemical Name or Material Diltiazem HCl
Synonym 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, hydrochloride (1:1), (2S,3S)-,1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2S,3S)- (9CI),1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2S-cis)-,(+)-Diltiazem hydrochloride,(2S,3S)-(+)-cis-Diltiazem hydrochloride,(S,S)-Diltiazem hydrochloride,Adizem,Altiazem,Anginyl,Angipress,Angizem,Bi-Teldiem,Blocalcin 60,Britiazim,Bruzem,CRD 401,Calcicard,Cardizem,Cardizem CD,Cardizem SR,Citizem,Cormax,Deltazen,Dicard,Dilacor,Dilacor XR,Diladel,Dilcardia,Dilgard,Dilpral,Dilrene,Diltiazem hydrochloride,Dilzacard,Dilzene,Herbesser,Kaizem,Kardil,Masdil,RG 83606,Tiazac,Tildiem,d-cis-3-Acetoxy-2,3-dihydro-5-[2-(dimethylamino)ethyl]-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one hydrochloride,d-cis-Diltiazem hydrochloride
SMILES Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C22H27ClN2O4S
Formula Weight 450.138
7

Clothiapine, TRC

CAS: 2058-52-8 Chemical Name or Material: Clothiapine Formula Weight: 343.091 InChI Formula: InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3 IUPAC Name: 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine Molecular Formula: C18 H18 Cl N3 S Molecular Weight (g/mol): 343.87 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C 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)-

Percent Purity >95%
CAS 2058-52-8
Molecular Weight (g/mol) 343.87
InChI Formula InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
Chemical Name or Material Clothiapine
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)-
SMILES CN1CCN(CC1)C2=Nc3ccccc3Sc4ccc(Cl)cc24
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C18 H18 Cl N3 S
IUPAC Name 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
Formula Weight 343.091
8

Diltiazem, TRC

CAS: 42399-41-7 Chemical Name or Material: Diltiazem Formula Weight: 414.1613 InChI Formula: InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 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 Molecular Weight (g/mol): 414.52 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C 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

Percent Purity >95%
CAS 42399-41-7
Molecular Weight (g/mol) 414.52
InChI Formula InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
Chemical Name or Material Diltiazem
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
SMILES COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C22 H26 N2 O4 S
IUPAC Name [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Formula Weight 414.1613
10

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

CAS: 1371638-05-9 Chemical Name or Material: 1,2-Bis[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethane Formula Weight: 704.2967 InChI Formula: InChI=1S/C40H44N6O2S2/c1-5-13-35-31(9-1)39(41-33-11-3-7-15-37(33)49-35)45-21-17-43(18-22-45)25-27-47-29-30-48-28-26-44-19-23-46(24-20-44)40-32-10-2-6-14-36(32)50-38-16-8-4-12-34(38)42-40/h1-16H,17-30H2 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 Molecular Weight (g/mol): 704.95 Recommended Storage: -20°C SMILES: C(COCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24)OCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68 Synonym: Quetiapine EP Impurity E;

CAS 1371638-05-9
Molecular Weight (g/mol) 704.95
InChI Formula InChI=1S/C40H44N6O2S2/c1-5-13-35-31(9-1)39(41-33-11-3-7-15-37(33)49-35)45-21-17-43(18-22-45)25-27-47-29-30-48-28-26-44-19-23-46(24-20-44)40-32-10-2-6-14-36(32)50-38-16-8-4-12-34(38)42-40/h1-16H,17-30H2
Chemical Name or Material 1,2-Bis[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethane
Synonym Quetiapine EP Impurity E;
SMILES C(COCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24)OCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68
Recommended Storage -20°C
Molecular Formula C40H44N6O2S2
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
Formula Weight 704.2967
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

7-Hydroxy Quetiapine, TRC

CAS: 139079-39-3 Chemical Name or Material: 7-Hydroxyquetiapine Formula Weight: 399.1617 InChI Formula: InChI=1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2 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 Molecular Weight (g/mol): 399.51 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C 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

Percent Purity >95%
CAS 139079-39-3
Molecular Weight (g/mol) 399.51
InChI Formula InChI=1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2
Chemical Name or Material 7-Hydroxyquetiapine
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
SMILES OCCOCCN1CCN(CC1)C2=Nc3ccc(O)cc3Sc4ccccc24
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C21 H25 N3 O3 S
IUPAC Name 6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol
Formula Weight 399.1617
13

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

CAS: 3159-07-7 Chemical Name or Material: Dibenzo[b,f][1,4]thiazepin-11(10H)-one Formula Weight: 227.0405 InChI Formula: InChI=1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15) IUPAC Name: 5H-benzo[b][1,4]benzothiazepin-6-one Molecular Formula: C13 H9 N O S Molecular Weight (g/mol): 227.28 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C SMILES: O=C1Nc2ccccc2Sc3ccccc13 Synonym: Dibenzo[b,f][1,4]thiazepin-11(10H)-one,Quetiapine Fumarate Imp. G (EP)

Percent Purity >95%
CAS 3159-07-7
Molecular Weight (g/mol) 227.28
InChI Formula InChI=1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
Chemical Name or Material Dibenzo[b,f][1,4]thiazepin-11(10H)-one
Synonym Dibenzo[b,f][1,4]thiazepin-11(10H)-one,Quetiapine Fumarate Imp. G (EP)
SMILES O=C1Nc2ccccc2Sc3ccccc13
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C13 H9 N O S
IUPAC Name 5H-benzo[b][1,4]benzothiazepin-6-one
Formula Weight 227.0405
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 Chemical Name or Material: 2-[2-[2-[2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethanol Formula Weight: 471.219 InChI Formula: InChI=1S/C25H33N3O4S/c29-14-16-31-18-20-32-19-17-30-15-13-27-9-11-28(12-10-27)25-21-5-1-3-7-23(21)33-24-8-4-2-6-22(24)26-25/h1-8,29H,9-20H2 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 Molecular Weight (g/mol): 471.612 Recommended Storage: +4°C 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)

CAS 1356906-17-6
Molecular Weight (g/mol) 471.612
InChI Formula InChI=1S/C25H33N3O4S/c29-14-16-31-18-20-32-19-17-30-15-13-27-9-11-28(12-10-27)25-21-5-1-3-7-23(21)33-24-8-4-2-6-22(24)26-25/h1-8,29H,9-20H2
Chemical Name or Material 2-[2-[2-[2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethanol
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)
SMILES OCCOCCOCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24
Recommended Storage +4°C
Molecular Formula C25 H33 N3 O4 S
IUPAC Name 2-[2-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethanol
Formula Weight 471.219
15

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