[5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate

CAS: 34933-06-7

Molecular Formula	`C22H26N2O4S`
Molecular Weight	414.5 g/mol
LogP	3.1
Topological Polar Surface Area	84.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	414.16132
Heavy Atoms	29
Complexity	565.0

Chemical Identifiers

CAS Number	34933-06-7
SMILES	`CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC`
InChIKey	`HSUGRBWQSSZJOP-UHFFFAOYSA-N`

📖 Product Overview

[5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate (CAS: 34933-06-7) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.5 g/mol. Its IUPAC systematic name is [5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate. LogP 3.1 Topological Polar Surface Area 84.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 414.16132 Heavy Atoms 29 Complexity 565.0 InChI Key: HSUGRBWQSSZJOP-UHFFFAOYSA-N. SMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate.

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