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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

(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
2

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
3

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one 96.0+%, TCI America™

CAS: 42399-49-5 Molecular Formula: C16H15NO3S Molecular Weight (g/mol): 301.36 MDL Number: MFCD01321316 InChI Key: LHBHZALHFIQJGJ-CABCVRRESA-N Synonym: azepin-4-one,2s,3s-+-2,3-dihydro-3-hydroxy-2-4-methoxyphenyl-1,5-benzothiazepin-4 5h-one,unii-6rn4n3305m,2s-cis-+-2,3-dihydro-3-hydroxy-2-4-methoxyphenyl-1,5-benzothiazepin-4 5h-one,2s,3s-3-hydroxy-2-4-methoxyphenyl-2,3-dihydro-1,5-benzothiazepin-4 5h-one,2s,3s-3-hydroxy-2-4-methoxyphenyl-3,5-dihydro-2h-1,5-benzothiazepin-4-one,2s-cis-2,3-dihydro-3-hydroxy-2-4-methoxyphenyl-1,5-benzothiazepin-4 5h-one,3-hydroxy-2-4-methoxyphenyl-2,3-dihydro-1,5-benzothiazepin-4 5h-one,2s,3s-2,3-dihydro-3-hydroxy-2-4-methoxyphenyl-1,5-benzothiazepin-4 5h-one,diltiazem impurity e PubChem CID: 2733673 IUPAC Name: (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one SMILES: COC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)O

PubChem CID 2733673
CAS 42399-49-5
Molecular Weight (g/mol) 301.36
MDL Number MFCD01321316
SMILES COC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)O
Synonym azepin-4-one,2s,3s-+-2,3-dihydro-3-hydroxy-2-4-methoxyphenyl-1,5-benzothiazepin-4 5h-one,unii-6rn4n3305m,2s-cis-+-2,3-dihydro-3-hydroxy-2-4-methoxyphenyl-1,5-benzothiazepin-4 5h-one,2s,3s-3-hydroxy-2-4-methoxyphenyl-2,3-dihydro-1,5-benzothiazepin-4 5h-one,2s,3s-3-hydroxy-2-4-methoxyphenyl-3,5-dihydro-2h-1,5-benzothiazepin-4-one,2s-cis-2,3-dihydro-3-hydroxy-2-4-methoxyphenyl-1,5-benzothiazepin-4 5h-one,3-hydroxy-2-4-methoxyphenyl-2,3-dihydro-1,5-benzothiazepin-4 5h-one,2s,3s-2,3-dihydro-3-hydroxy-2-4-methoxyphenyl-1,5-benzothiazepin-4 5h-one,diltiazem impurity e
IUPAC Name (2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
InChI Key LHBHZALHFIQJGJ-CABCVRRESA-N
Molecular Formula C16H15NO3S
4

(+)-cis-Diltiazem Hydrochloride 98.0+%, TCI America™

CAS: 33286-22-5 Molecular Formula: C22H27ClN2O4S Molecular Weight (g/mol): 450.978 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) 450.978
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 C22H27ClN2O4S
5

American Radiolabeled Chemicals Inc DILTIAZEM 3H 25UC
SDP

Diltiazem, cis-(+)-N-methyl-3H 25uCi in ethanol, 1 mCi/ml, S.A. 60-87 Ci/mmol, M.W. 415.5, Shipped in Dry Ice

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