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Benzothiazepine

Aromatische organische heterozyklische Verbindungen, die aus Benzol bestehen, das mit einem Thiazepinring fusioniert ist; Thiazepine sind substituierte Thiepine, wobei ein Stickstoff einen Kohlenstoff in der siebengliedrigen heterozyklischen Verbindung ersetzt.

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1

Thermo Scientific Chemicals Diltiazem Hydrochlorid, 98 %

CAS: 33286-22-5 Summenformel: C22H26N2O4S·HCl Molekulargewicht (g/mol): 450.99 MDL-Nummer: MFCD00069252 InChI-Schlüssel: 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] Acetat;Hydrochlorid SMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl

InChI-Schlüssel HDRXZJPWHTXQRI-BHDTVMLSSA-N
IUPAC-Name [(2S,3S)-5-[2-(Dimethylamino)Ethyl]-2-(4-Methoxyphenyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-yl] Acetat;Hydrochlorid
PubChem CID 62920
CAS 33286-22-5
ChEBI CHEBI:645509
MDL-Nummer MFCD00069252
Molekulargewicht (g/mol) 450.99
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
Summenformel C22H26N2O4S·HCl
3

Diltiazem Hydrochloride, TRC

CAS: 33286-22-5 Molekulargewicht (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
Molekulargewicht (g/mol) 450.98
SMILES Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
4

Desacetyl Diltiazem Hydrochloride, TRC

CAS: 75472-91-2 Summenformel: C20 H24 N2 O3 S . Cl H Molekulargewicht (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

IUPAC-Name (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
CAS 75472-91-2
Molekulargewicht (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
Summenformel C20 H24 N2 O3 S . Cl H
5

Quetiapine Hydroxy Impurity Dihydrochloride Salt, TRC

CAS: 329218-14-6 Summenformel: C19 H21 N3 O S . 2 Cl H Molekulargewicht (g/mol): 412.38 Synonym: 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 IUPAC-Name: 2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethanol;dihydrochloride SMILES: Cl.Cl.OCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24

IUPAC-Name 2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethanol;dihydrochloride
CAS 329218-14-6
Molekulargewicht (g/mol) 412.38
SMILES Cl.Cl.OCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24
Synonym 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
Summenformel C19 H21 N3 O S . 2 Cl H
6

N-Desmethyl Diltiazem Hydrochloride, TRC

CAS: 130606-60-9 Summenformel: C21 H24 N2 O4 S . Cl H Molekulargewicht (g/mol): 436.95 Synonym: (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 IUPAC-Name: [(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride SMILES: Cl.CNCCN1C(=O)[C@H](OC(=O)C)[C@@H](Sc2ccccc12)c3ccc(OC)cc3

IUPAC-Name [(2S,3S)-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride
CAS 130606-60-9
Molekulargewicht (g/mol) 436.95
SMILES Cl.CNCCN1C(=O)[C@H](OC(=O)C)[C@@H](Sc2ccccc12)c3ccc(OC)cc3
Synonym (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
Summenformel C21 H24 N2 O4 S . Cl H
7

N,N-Didesmethyl Diltiazem Hydrochloride, TRC

CAS: 116050-35-2 Summenformel: C20H23ClN2O4S Molekulargewicht (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
Molekulargewicht (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
Summenformel C20H23ClN2O4S
8

N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride, TRC

CAS: 111974-74-4 Summenformel: C17 H17 N3 S . 2 Cl H Molekulargewicht (g/mol): 368.32 Synonym: 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 IUPAC-Name: 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride SMILES: Cl.Cl.C1CN(CCN1)C2=Nc3ccccc3Sc4ccccc24

IUPAC-Name 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;dihydrochloride
CAS 111974-74-4
Molekulargewicht (g/mol) 368.32
SMILES Cl.Cl.C1CN(CCN1)C2=Nc3ccccc3Sc4ccccc24
Synonym 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
Summenformel C17 H17 N3 S . 2 Cl H