Dibenzothiazepines

Description:

Compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Benzothiazepines ⮕ Dibenzothiazepines

Popular Products

11-Chloro-dibenzo[b,f][1,4]thiazepine
CAS: 13745-86-3 EC Number: 604-020-6 Formula: C₁₃H₈ClNS Molecular Weight: 245.73

Solid ≥95%

Out of Stock Item #: C724865

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Technical Identifiers

IUPAC Name

6-chlorobenzo[b][1,4]benzothiazepine

SMILES

C1=CC=C2C(=C1)C(=NC3=CC=CC=C3S2)Cl

InChIKey
ZFOZNNFYECYUQB-UHFFFAOYSA-N

InChI

1S/C13H8ClNS/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H

Synonyms
11-Chlorodibenzo[b,f][1,4]thiazepine
Quetiapine sulfoxide dihydrochloride
CAS: 329218-11-3 PubChem CID: 45358163 Formula: C₂₁H₂₇Cl₂N₃O₃S Molecular Weight: 472.43

≥99%

Out of Stock Item #: Q647903

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SMILES

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3S(=O)C4=CC=CC=C42.Cl.Cl
ML321
Moligand™ ?

Out of Stock Item #: M611946

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IUPAC Name

(11S)-5-methyl-6,11-dioxo-N-(2-thiophen-2-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

SMILES

O=C(c1ccc2c(c1)N(C)C(=O)c1c([S@@]2=O)cccc1)NCCc1cccs1

InChIKey
YXLLQNMKIDBOGH-NDEPHWFRSA-N

InChI

1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m0/s1

Synonyms
compound 65
N-desalkylquetiapine
CAS: 5747-48-8 EC Number: 611-547-5 Formula: 611-547-5 Molecular Weight: 295.40

Solid Moligand™ ? ≥96%

Out of Stock Item #: N611082

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IUPAC Name

6-piperazin-1-ylbenzo[b][1,5]benzothiazepine

SMILES

N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2

InChIKey
JLOAJISUHPIQOX-UHFFFAOYSA-N

InChI

1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2

Synonyms
11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine;11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine | A25082 | AKOS015854153...
ABI-H0731
CAS: 2090064-66-5 Formula: C₁₉H₁₂F₃N₃O₄S₂ Molecular Weight: 467.44

≥99%

In Stock Item #: A579444

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IUPAC Name

6,11,11-trioxo-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

SMILES

C1=CC=C2C(=C1)C(=O)NC3=C(S2(=O)=O)C=CC(=C3)C(=O)NCC4=CN=C(S4)C(F)(F)F

InChIKey
LBJVBJYMZKEREY-UHFFFAOYSA-N

InChI

1S/C19H12F3N3O4S2/c20-19(21,22)18-24-9-11(30-18)8-23-16(26)10-5-6-15-13(7-10)25-17(27)12-3-1-2-4-14(12)31(15,28)29/h1-7,9H,8H2,(H,23,26)(H,25,27)

Synonyms
11-oxo-N-((2-(trifluoromethyl)thiazol-5-yl)methyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide-5,5-dioxide
Quetiapine
CAS: 111974-69-7 EC Number: 601-143-7 PubChem CID: 5002 Formula: C₂₁H₂₅N₃O₂S Molecular Weight: 383.51

Moligand™ ? 10mM in DMSO

In Stock Item #: Q580500

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IUPAC Name

2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol

SMILES

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChIKey
URKOMYMAXPYINW-UHFFFAOYSA-N

InChI

1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2

Synonyms
2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol | 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiper...
Quetiapine
CAS: 111974-69-7 EC Number: 601-143-7 PubChem CID: 5002 Formula: C₂₁H₂₅N₃O₂S Molecular Weight: 383.51

Solid Moligand™ ? ≥98%

In Stock Item #: Q128030

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Technical Identifiers

IUPAC Name

2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol

SMILES

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChIKey
URKOMYMAXPYINW-UHFFFAOYSA-N

InChI

1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2

Synonyms
2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol | 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiper...
Clothiapine
CAS: 2058-52-8 EC Number: 218-162-8 Formula: C₁₈H₁₈ClN₃S Molecular Weight: 343.87

≥99%

In Stock Item #: C336346

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IUPAC Name

8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine

SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChIKey
KAAZGXDPUNNEFN-UHFFFAOYSA-N

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

Synonyms
CLOTIAPINE [MART.] | Entumine | Tox21_111779_1 | 13-chloro-10-(4-methylpiperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0,3...
Quetiapine Sulfoxide
CAS: 329216-63-9 EC Number: 813-652-3 PubChem CID: 10431050 Formula: C₂₁H₂₅N₃O₃S Molecular Weight: 399.51

Solid ≥95%

In Stock Item #: Q352118

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IUPAC Name

2-[2-[4-[(11S)-11-oxobenzo[b][1,4]benzothiazepin-6-yl]piperazin-1-yl]ethoxy]ethanol

SMILES

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3S(=O)C4=CC=CC=C42

InChIKey
FXJNLPUSSHEDON-NDEPHWFRSA-N

InChI

1S/C21H25N3O3S/c25-14-16-27-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)28(26)20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2/t28-/m0/s1

Synonyms
J-018937 | Ethanol, 2-(2-(4-(5-oxidodibenzo(b,f)(1,4)thiazepin-11-yl)-1-piperazinyl)ethoxy)- | Ethanol,2-[2-[4-(5-oxi...
11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride
CAS: 111974-74-4 PubChem CID: 19842188 Formula: C₁₇H₁₇N₃S.2HCl Molecular Weight: 368.32

≥98%

Out of Stock Item #: P189711

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IUPAC Name

6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride

SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.Cl.Cl

InChIKey
PZQCQHZDUIIKFU-UHFFFAOYSA-N

InChI

1S/C17H17N3S.2ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;;/h1-8,18H,9-12H2;2*1H

Synonyms
11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine Dihydrochloride | 11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydr...
11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepin-7-ol
CAS: 232597-73-8 Formula: C₁₇H₁₇N₃OS Molecular Weight: 311.40

≥95%

In Stock Item #: H344174

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IUPAC Name

6-piperazin-1-ylbenzo[b][1,4]benzothiazepin-2-ol

SMILES

C1CN(CCN1)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42

InChIKey
CAWOJGJDGLXKTF-UHFFFAOYSA-N

InChI

1S/C17H17N3OS/c21-12-5-6-14-16(11-12)22-15-4-2-1-3-13(15)17(19-14)20-9-7-18-8-10-20/h1-6,11,18,21H,7-10H2

Synonyms
UNII-NB6I4M7RFP | Dibenzo(b,f)(1,4)thiazepin-7-ol, 11-(1-piperazinyl)- | NB6I4M7RFP | M 236303 | 7-Hydroxy-N-des{[2-(...
HX 630
CAS: 188844-52-2 Formula: C₂₈H₂₇NO₂S Molecular Weight: 441.58

≥98%(HPLC)

Out of Stock Item #: H286706

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IUPAC Name

4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1,5]benzothiazepin-12-yl)benzoic acid

SMILES

CC1(CCC(C2=C1C=C3C(=C2)SC4=CC=CC=C4N=C3C5=CC=C(C=C5)C(=O)O)(C)C)C

InChIKey
PFGCWQPTOKPRRK-UHFFFAOYSA-N

InChI

1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,show more

Synonyms
AKOS024457869 | BDBM50061618 | NCGC00370944-01 | HX 630 | HY-108520 | FT-0669247 | HX630 | HX-630 | 4-(7,7,10,10-Tetr...

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